南京工业大学高性能计算中心联想Flex System高性能计算系统为全校师生提供高性能计算服务。本系统采用56Gbps高速互联，共由1个管理节点，2个登录节点，2个IO节点及96个计算节点构成。计算节点共2784颗CPU核心和2块GPU卡。总双精度峰值计算能力为每秒142.84万亿次（CPU:128.84万亿次/秒，GPU: 14万亿次/秒）

自2017年9月正式运行以来，平台已经为全校大量科研项目提供了巨大的计算资源。学校科研人员利用本平台资源已发表论文：

479 Zhang, G.; Peng, T.; Tong, Y.; Gong, Y.; Chen, Z.; Huang, W.; Dai, B., Full-scale experiments on the fire smoke extraction from naturally ventilated shafts for shallow-buried urban road tunnels in hot summer. Tunnelling and Underground Space Technology 2024, 143, 105441.

478 Na, X.; Liu, H.; Li, X.; Du, M.; Wang, T.; Zhang, Z.; Wu, C., Confined assembly of 2D biofilms at the air-water interface for versatile surface biofunctionalization of osteogenic implants. Nano Today 2024, 54, 102086.

477 Chen, Z.; Wu, C.; Liu, X.; Li, T.; Xie, M.; Xi, S.; Zhou, Y.; Wang, J., Boosting H2O2 utilization efficiency in benzene hydroxylation to phenol via isolated single VO4 site on hydrophobic poly (ionic liquid)-derivative. Chemical Engineering Journal 2024, 479, 147501.

476 Zhang, J.; Tang, H.; Zhang, J.; Zhang, Z., Mesoscopic simulation of multi-scheme particle separation in deterministic lateral displacement devices using two-piece hybrid pillars. Journal of Chromatography A 2023, 1711, 464434.

475 Zhang, J.; Liu, H.; Tang, H.; Zhang, J.; Zhang, Z., A layout-dependent formula for the critical separation size of parallelogram-type deterministic lateral displacement arrays. Physics of Fluids 2023, 35 (5).

474 Zhang, C.; Bai, H.; Hu, J.; Guo, K.; Zhao, L., Computationally rational design of metal‐involving halogen bonds with π‐covalency: Structures and bonding analysis. Journal of Computational Chemistry 2023, 44 (3), 480-488.

473 Yue, Q.; Li, G.; Fu, P.; Meng, B.; Ma, F.; Zhou, Y.; Wang, J. J. N. R., In-situ polarization of covalent organic frameworks in seawater enables enhanced photocatalytic hydrogen evolution under visible-light irradiation. 2023, 1-9.

472 Yu, X.-Q.; Zhang, X.; Qiu, T.; Liu, H.; Guo, J.; Li, Q.; Zhang, Z.; Chen, S., Engineering particles for sensing applications via in-situ synthesizing carbon dots@ SiO2 photonic crystals. Chemical Engineering Journal 2023, 465, 142851.

471 Yu, C. H.; Au‐Yeung, K. C.; Liu, R.; Lee, C. H.; Jiang, D.; Semagne Aweke, B.; Wu, C. H.; Wang, Y. J.; Wang, T. H.; Voon Kong, K., Diversification of the Carbodicarbene Class by Embedding an Anionic Component in its Scaffold. Chemistry–A European Journal 2023, e202302886.

470 Wu, Y.; Xi, S.; Chen, C.; Hu, Q.; Xiong, Z.; Wang, J.; Dai, Y.; Han, Y.; Jiang, S.; Wang, J., Synergistic roles of platinum nanoparticles and sodium ions within beta zeolites in N-alkylation of amines with aromatic alcohols. Science China Chemistry 2023, 66 (9), 2690-2699.

469 Wang, X.; Li, Y.; Li, J.; Zhang, Y.; Shao, J.; Li, Y., Direct Arylation Synthesis of Small Molecular Acceptors for Organic Solar Cells. Molecules 2023, 28 (8), 3515.

468 Wang, T.; Meng, B.; Zhou, Y.; Wang, Y.; Wang, L.; Ding, L.; Zhou, Y.; Wang, J., Confining organic cations in metal organic framework allows molecular level regulation of CO2 capture. AIChE Journal 2023, e18126.

467 Wang, S.; Yang, Y.; Lu, T.; Chen, Y.; Jin, C.; Gong, Y.; Chen, L., Multi-scale simulation of the effect of microbial growth on the permeability of porous media. Advances in Water Resources 2023, 179, 104503.

466 Wang, P.; Lv, Q.; Tao, Y.; Cheng, L.; Li, R.; Jiao, Y.; Fang, C.; Li, H.; Geng, C.; Sun, C., One-pot efficient fixation of low-concentration CO2 into cyclic carbonate by mesoporous pyridine-functionalized binuclear poly (ionic liquid) s. Molecular Catalysis 2023, 544, 113157.

465 Wang, L.; Mei, A.; Li, N.; Ruan, X.; Sun, X.; Cai, Y.; Shao, J.; Dong, X., Aza-BODIPY dye with unexpected bromination and high 1O2 quantum yield for photoacoustic imaging-guided synergetic photodynamic/photothermal therapy. Chinese Chemical Letters 2023, 108974.

464 Wang, J.; Jiang, Z.; Huang, C.; Zhao, S.; Zhu, S.; Liu, R.; Zhu, H., Self-Assembled BODIPY Nanoparticles for Near-Infrared Fluorescence Bioimaging. Molecules 2023, 28 (7), 2997.

463 Wang, J.; Chen, C.; Li, L.; Tang, Z.; Du, Z.; Wang, Y.; Pan, L.; Guan, Z., Construction of petal-like MOF-derived C-TiO2/Caln2S4 with S-scheme heterojunction for boosted photocatalytic of antibiotics and organic pollutants. Journal of Environmental Chemical Engineering 2023, 11 (3), 110133.

462 Wang, D.; Zhai, C.; Chen, Y.; He, Y.; Chen, X.-d.; Wang, S.; Zhao, L.; Frenking, G.; Wang, X.; Tan, G., An isolable germylyne radical with a one-coordinate germanium atom. Nature Chemistry 2023, 15 (2), 200-205.

461 Wan, Y.; Liu, H.; Chen, Z.; Wu, C.; Zhong, Q.; Wang, R.; Feng, W.; Chen, X.; Zhang, J.; Wang, T., Biomolecular 1D Necklace-like Nanostructures Tailoring 2D Janus Interfaces for Controllable 3D Enteric Biomaterials. ACS nano 2023, 17 (6), 5620-5631.

460 Sun, M.; Pan, D.; Ye, T.; Gu, J.; Zhou, Y.; Wang, J., Ionic porous polyamide derived N-doped carbon towards highly selective electroreduction of CO2. Chinese Journal of Chemical Engineering 2023, 55, 212-221.

459 Sun, C.; Yao, Z.; Wang, Q.; Guo, L.; Shen, X., Theoretical study on the organic acid promoted dissolution mechanism of forsterite mineral. Applied Surface Science 2023, 614, 156063.

458 Song, Y.; He, Y.; Hu, L.; Cheng, Q.; Chen, Z.; Liu, R.; Zhu, S.; Zhu, H., Panchromatic luminescent D–π–A benzothiazoles with different π-bridging modulation: design, synthesis and application in WLED devices. Materials Chemistry Frontiers 2023.

457 Shi, S.; Li, K.-D.; Li, Y.-X.; Ma, Z.-D.; Qi, S.-C.; Liu, X.-Q.; Sun, L.-B., Spiropyran-Embedded Metal–Organic Frameworks with Thermoresponsiveness for Tunable Gas Adsorption. ACS Materials Letters 2023, 5 (8), 2189-2196.

456 Shi, N.; Lu, L.; Guo, F.; Li, Z.; Shen, L.; Huang, J.; Guo, K., One-Pot, One-Step to Access Cyclic Amphiphilic Block Copoly (carbonate-b-ester). ACS Applied Polymer Materials 2023, 5 (11), 9307-9316.

455 Shao, X.-B.; Xing, Z.-W.; Liu, S.-Y.; Miao, K.-X.; Qi, S.-C.; Peng, S.-S.; Liu, X.-Q.; Sun, L.-B., Atomically dispersed calcium as solid strong base catalyst with high activity and stability. Green Energy & Environment 2023.

454 Ruan, X.; Wei, M.; He, X.; Wang, L.; Yang, D.; Cai, Y.; Shao, J.; Dong, X., Asymmetric aza-BODIPY photosensitizer for photoacoustic/photothermal imaging-guided synergistic photodynamic/photothermal therapy. Colloids and Surfaces B: Biointerfaces 2023, 231, 113547.

453 Qu, Y.; Hu, J.; Guo, F.; Ji, D.; Li, Y.; Li, Z.; Xu, Y.; Huang, J.; Zhao, L.; Guo, K., Understanding Alkali Cation-Assisted Ring-Opening Polymerization of Macrocyclic Carbonate: Kinetics and Thermodynamics. Macromolecules 2023, 56 (17), 6790-6797.

452 Qiu, C.; Wang, L.; Chen, R.; Zhang, J.; Ding, J.; Zhang, J.; Wan, H.; Guan, G., Insight of the State for Deliberately Introduced A-Site Defect in Nanofibrous LaFeO3 for Boosting Artificial Photosynthesis of CH3OH. ACS Applied Materials & Interfaces 2023.

451 Qin, L.; Zhang, Z.; Liu, R.; Zhou, M.; Zhao, L., A Computational Mechanistic Study of the Cleavage of Sulfur-Sulfur Bond by Frustrated Lewis Pairs. Tetrahedron Letters 2023, 154411.

450 Qi, S.-C.; Yu, Y.-F.; Yang, Z.-H.; Liu, X.-Y.; Lu, X.-J.; Liu, X.-Q.; Sun, L.-B., Active sites modulation with Runge–Gross theorem: CO2 capture by porphyrinic metal–organic frameworks at excited states. AIChE Journal 2023, 69 (5), e17994.

449 Qi, S.-C.; Sun, Z.; Yang, Z.-H.; Zhao, Y.-J.; Li, J.-X.; Liu, X.-Q.; Sun, L.-B., Photo-Responsive Carbon Capture over Metalloporphyrin-C60 Metal-Organic Frameworks via Charge-Transfer. Research 2023, 6, 0261.

448 Qi, S. C.; Liu, Y. L.; Lu, X. J.; Zhao, Y. J.; Li, J. X.; Liu, X. Q.; Sun, L. B., Enhanced CO Adsorption by Modulating the Electron Density Distribution of Graphite‐Copper Porphyrin Sorbents with Light. Angewandte Chemie 2023, 135 (27), e202304367.

447 Pan, X.; Wang, Q.; Ma, Z.; Qin, Y.; Lu, X.; Jin, W.; Zhu, Y., Assisting role of water molecules in ionic recognition by 18-crown-6 ether in aqueous solutions. Journal of Molecular Liquids 2023, 371, 121127.

446 Mao, Y.; Xu, J.; Chen, H.; Liu, G.; Liu, Z.; Cheng, L.; Guo, Y.; Liu, G.; Jin, W., Hydrophobic metal-organic framework@ graphene oxide membrane with enhanced water transport for desalination. Journal of Membrane Science 2023, 669, 121324.

445 Ma, F.; Wen, Y.; Fu, P.; Zhang, J.; Tang, Q.; Chen, T.; Luo, W.; Zhou, Y.; Wang, J., Engineering 0D/2D Architecture of Ni (OH) 2 Nanoparticles on Covalent Organic Framework Nanosheets for Selective Visible‐Light‐Driven CO2 Reduction. Small 2023, 2305767.

444 Ma, F.; Tang, Q.; Xi, S.; Li, G.; Chen, T.; Ling, X.; Lyu, Y.; Liu, Y.; Zhao, X.; Zhou, Y., Benzimidazole-based covalent organic framework embedding single-atom Pt sites for visible-light-driven photocatalytic hydrogen evolution. Chinese Journal of Catalysis 2023, 48, 137-149.

443 Lu, T.; Xue, F.; Chen, Y.; Zhou, Y.; Gong, Y.; Chen, L., Pore‐scale simulation of the influence of temperature on particle motion based on LBM‐IBM‐DEM method. Hydrological Processes 2023, 37 (9), e14981.

442 Liu, X.; Liu, Y.; Wu, Y.; Dong, S.; Qi, G.; Chen, C.; Xi, S.; Luo, P.; Dai, Y.; Han, Y., Room temperature removal of high-space-velocity formaldehyde boosted by fixing Pt nanoparticles into Beta zeolite framework. Journal of Hazardous Materials 2023, 131848.

441 Liu, T.; Wei, J.; Liu, P.; Shi, H.; Wang, Q.; Yang, Y., Insight into the mechanism of direct N–C coupling in selective catalytic reduction of NO by CO over Ni (111)-supported graphene. Physical Chemistry Chemical Physics 2023, 25 (38), 26185-26195.

440 Liu, R.; Qin, L.; Zhang, Z.; Zhao, L.; Sagan, F.; Mitoraj, M.; Frenking, G., Genuine quadruple bonds between two main-group atoms. Chemical bonding in AeF−(Ae= Be–Ba) and isoelectronic EF (E= B–Tl) and the particular role of d orbitals in covalent interactions of heavier alkaline-earth atoms. Chemical Science 2023, 14 (18), 4872-4887.

439 Liu, Q.; Wang, X.; Guo, Y.; Liu, G.; Zhou, K.-G., Mechanism of ethanol/water reverse separation through a functional graphene membrane: a molecular simulation investigation. Frontiers of Chemical Science and Engineering 2023, 17 (3), 347-357.

438 Liu, M.; Yang, X.; Sun, Q.; Wang, T.; Pei, R.; Yang, X.; Zhao, Y.; Zhao, L.; Frenking, G.; Wang, X., Lewis Acid‐Mediated Radical Stabilization and Dynamic Covalent Bonding: Tunable, Reversible and Photocontrollable. Angewandte Chemie International Edition 2023, 62 (20), e202300068.

437 Liu, G.; Guo, Y.; Chen, C.; Lu, Y.; Chen, G.; Liu, G.; Han, Y.; Jin, W.; Xu, N., Eliminating lattice defects in metal–organic framework molecular-sieving membranes. Nature Materials 2023, 1-8.

436 Li, Y.; Wang, Z.; Shi, X.; Fan, R., Safety analysis of hydrogen leakage accident with a mobile hydrogen refueling station. Process Safety and Environmental Protection 2023, 171, 619-629.

435 Li, Y.; Wang, Z.; Shang, Z.; Fan, R., The investigation of hydrogen released on the mixed jets with an axisymmetric jet and an asymmetric jet. International Journal of Hydrogen Energy 2023.

434 Li, M.; Lu, Z.; Zhang, J.; Chen, L.; Tang, X.; Jiang, Q.; Hu, Q.; Li, L.; Liu, J.; Huang, W., Near‐Infrared‐II Fluorophore with Inverted Dependence of Fluorescence Quantum Yield on Polarity as Potent Phototheranostics for Fluorescence‐Image‐Guided Phototherapy of Tumors. Advanced Materials 2023, 35 (45), 2209647.

433 Li, G.; Zhao, X.; Yue, Q.; Fu, P.; Ma, F.; Wang, J.; Zhou, Y., Reducing dielectric confinement effect in ionic covalent organic nanosheets to promote the visible-light-driven hydrogen evolution. Journal of Energy Chemistry 2023, 82, 40-46.

432 Li, G.; Yue, Q.; Fu, P.; Wang, K.; Zhou, Y.; Wang, J., Ionic Dye Based Covalent Organic Frameworks for Photothermal Water Evaporation. Advanced Functional Materials 2023, 2213810.

431 Kalkuhl, T. L.; Qin, L.; Zhao, L.; Frenking, G.; Hadlington, T. J., On the σ-complex character of bis (gallyl)/digallane transition metal species. Chemical Science 2023, 14 (40), 11088-11095.

430 Jiang, G.; Hu, X.; Sun, L., Electric Field Induced Schottky to Ohmic Contact Transition in Fe3GeTe2/TMDs Contacts. ACS Applied Electronic Materials 2023.

429 Huang, J.; Li, J.; Yan, R.; Qu, Y.; Guo, F.; Shen, L.; Ma, C.-l.; Sun, J.; Li, Z.; Guo, K., Zwitterionic ring-opening polymerization of macrocyclic ethyleneoxy-substituted carbonate: Access to cyclic PEG-like polycarbonate. Chinese Chemical Letters 2023, 108643.

428 Hu, Y.; Hu, X.; Wang, Y.; Lu, C.; Krasheninnikov, A. V.; Chen, Z.; Sun, L., Suppressed Fermi Level Pinning and Wide-Range Tunable Schottky Barrier in CrX3 (X= I, Br)/2D Metal Contacts. The Journal of Physical Chemistry Letters 2023, 14 (11), 2807-2815.

427 Hu, Q.; Xu, H.; Wu, Y.; Jiang, S.; Wang, J.; Zhou, Y., Ionic polyamide boosting Ru efficiency in reductive amination of carbonyl compounds. Materials Chemistry Frontiers 2023, 7 (11), 2266-2276.

426 Guan, K.; Guo, Y.; Li, Z.; Jia, Y.; Shen, Q.; Nakagawa, K.; Yoshioka, T.; Liu, G.; Jin, W.; Matsuyama, H., Deformation constraints of graphene oxide nanochannels under reverse osmosis. Nature Communications 2023, 14 (1), 1016.

425 Gu, Y.; Zhao, A.; Hu, X.; Zong, P.; Pan, L.; Lu, C.; Xu, Z.; Koumoto, K.; Wang, Y.; Wan, C., High thermoelectric properties of shear-exfoliation-derived TiS2-AgSnSe2 nano-composites via ionized impurity scattering. Acta Materialia 2023, 244, 118564.

424 Gu, Y.; Ai, W.; Chen, J.; Zhao, A.; Hu, X.; Zong, P.; Pan, L.; Lu, C.; Wan, C.; Wang, Y., Cellular structured Cu 2 Sn 0.8 Co 0.2 S 3 with enhanced thermoelectric performance realized by liquid-phase sintering. Journal of Materials Chemistry A 2023, 11 (3), 1447-1454.

423 Gao, Y.; Zhou, H.; Yin, J.; Fang, Z.; Liu, H.; Liu, J.; Lu, C.; Xu, Z., Optical properties and thermal stability of Gd1-xNdxBaCo2O5+ δ ceramics for high temperature air-stable solar thermal conversion. Solar Energy 2023, 250, 10-17.

422 Gao, Q.; Li, W.; Liu, P.; Wang, Q.; Yang, Y., Interfacial structures and reactivities of CeO2/Cu (1 1 1) catalyst with strong interfacial interaction and charge transfer. Applied Surface Science 2023, 607, 155118.

421 Du, J.; Jin, Y.; Hou, S.; Jin, R.; Wang, Q. J. C. S. i. C. M., Effect of component characteristics on mechanical properties of asphalt: A molecular dynamics study. 2023.

420 Du, J.; Jin, Y.; Hou, S.; Jin, R.; Wang, Q., Effect of component characteristics on mechanical properties of asphalt: A molecular dynamics study. Case Studies in Construction Materials 2023, 18, e02007.

419 Chen, T.; Ma, F.; Chen, Z.; Xie, M.; Li, T.; Zhou, Y.; Wang, J., Engineering oxygen vacancies of 2D WO3 for visible-light-driven benzene hydroxylation with dioxygen. Chemical Engineering Journal 2023, 468, 143666.

418 Chen, M.; Zhang, Z.; Qiao, Z.; Zhao, L.; Mo, Z., An Isolable Bis (Germylene)‐Stabilized Plumbylone. Angewandte Chemie 2023, 135 (4), e202215146.

417 Chen, M.; Zhang, Z.; Liu, J.; Li, G.; Zhao, L.; Mo, Z., Isolation and Reactivity of Homoleptic Diphosphene Lead Complexes. Angewandte Chemie 2023, e202312837.

416 Chen, J.; Cai, J.; Sha, F.; Sun, W.; Lyu, X.; Chang, Y.; Cao, F.; Zhao, L.; Wu, H.; Ouyang, P., Chemo-enzymatic cascades producing 2, 5-furandicarboxylic acid precursors via d-gluconate “barbell oxidation” and dehydration. Green Chemistry 2023, 25 (18), 7126-7140.

415 Chen, G.; Chen, C.; Guo, Y.; Chu, Z.; Pan, Y.; Liu, G.; Liu, G.; Han, Y.; Jin, W.; Xu, N., Solid-solvent processing of ultrathin, highly loaded mixed-matrix membrane for gas separation. Science 2023, 381 (6664), 1350-1356.

414 Ai, W.; Shi, Y.; Hu, X.; Yang, J.; Sun, L., Tunable Schottky Barrier and Efficient Ohmic Contacts in MSi2N4 (M= Mo, W)/2D Metal Contacts. ACS Applied Electronic Materials 2023, 5 (10), 5606-5613.

413 Zhu, H.; Li, R.; Liu, G.; Pan, Y.; Li, J.; Wang, Z.; Guo, Y.; Liu, G.; Jin, W., Efficient separation of methanol/dimethyl carbonate mixtures by UiO-66 MOF incorporated chitosan mixed-matrix membrane. Journal of Membrane Science 2022, 652, 120473.

412 Zhang, X.; Wei, M.; Wang, Y., Designing sub-nanometer pores for efficient boron removal. Desalination 2022, 533, 115755.

411 Wang, Y.; Kankala, R. K.; Ou, C.; Chen, A.; Yang, Z., Advances in hydrogel-based vascularized tissues for tissue repair and drug screening. Bioactive Materials 2022, 9, 198-220.

410 Pan, Y.; Guo, Y.; Liu, J.; Zhu, H.; Chen, G.; Liu, Q.; Liu, G.; Jin, W., PDMS with tunable side group mobility and its highly permeable membrane for removal of aromatic compounds. Angewandte Chemie International Edition 2022, 61 (6), e202111810.

409 Huang, Q.; Liu, S.; Guo, Y.; Liu, G.; Jin, W., Separation of mono-/di-valent ions via charged interlayer channels of graphene oxide membranes. Journal of Membrane Science 2022, 645, 120212.

408 Gu, Y.; Ai, W.; Pan, L.; Hu, X.; Zong, P.; Chen, C.; Lu, C.; Xu, Z.; Wang, Y., High thermoelectric performance of BiCuSeO via minimizing the electronegativity difference in Bi–O layer. Materials Today Physics 2022, 24, 100688.

407 Cheng, L.; Guo, Y.; Liu, Q.; Liu, G.; Li, R.; Chen, X.; Zeng, H.; Liu, G.; Jin, W., Metal confined in 2D membranes for molecular recognition and sieving towards ethylene/ethane separation. Advanced Materials 2022, 34 (44), 2206349.

406 Chen, Z.; Zou, M.; Li, G.; Liu, X.; Zhou, Y.; Wang, J., Enhancing efficiency of solvent-free oxidation of aromatic alcohols with atmospheric oxygen by POSS-based cationic polymer backbone paired heteropolyanions. Molecular Catalysis 2022, 532, 112735.

405 Chen, T.; Pan, D.; Zhu, J.; Xie, M.; Li, T.; Zhou, Y.; Wang, J., A metal-/additive-free system for oxygen-mediated hydroxylation of benzene over polyfuran-functionalized hydrothermal carbocatalyst. Molecular Catalysis 2022, 528, 112517.

404 Ai, W.; Hu, X.; Yang, J.; Lu, C.; Sun, L., Selective sensing properties and enhanced ferromagnetism in CrI3 monolayer via gas adsorption. Nanotechnology 2022, 34 (6), 065202.

403 Wu, X.; Guo, Y.; Sun, Z.; Xie, F.; Guan, D.; Dai, J.; Yu, F.; Hu, Z.; Huang, Y.-C.; Pao, C.-W., Fast operando spectroscopy tracking in situ generation of rich defects in silver nanocrystals for highly selective electrochemical CO2 reduction. Nature Communications 2021, 12 (1), 660.

402 Wang, Z.; Yuan, J.; Li, R.; Zhu, H.; Duan, J.; Guo, Y.; Liu, G.; Jin, W., ZIF-301 MOF/6FDA-DAM polyimide mixed-matrix membranes for CO2/CH4 separation. Separation and Purification Technology 2021, 264, 118431.

401 Lu, Y.; Huang, L.; Guo, Y.; Yang, X., Theoretical insights into origin of graphene oxide acidity and relating behavior of oxygen-containing groups in water. Carbon 2021, 183, 355-361.

400 Jiang, Q.; Guo, Y.; Xu, Z.; Yang, X., DFT insights into the interfacial chemical behavior of hybrid LDH/GO nanocomposites. The Journal of Physical Chemistry C 2018, 123 (3), 1692-1699.

399 Li, Y.; Wang, Z.; Yin, Z.; Guo, P.; Fan, R., Experimental and computational studies of concentration and flow field variation of syngas released. Environmental Progress & Sustainable Energy, e14281.

398 Zhu, Jinglian; Shi, Rui; Liu, Yana; Zhu, Yunfeng; Zhang, Jiguang; Hu, Xiaohui; Li, Liquan %J Applied Surface Science, 3D interwoven MXene networks fabricated by the assistance of bacterial celluloses as high-performance cathode material for rechargeable magnesium battery. 2020, 528, 146985.

397 Qi, Shi‐Chao; Yu, Yan‐Fei; Yang, Zhi‐Hui; Liu, Xiao‐Ying; Lu, Xiao‐Jie; Liu, Xiao‐Qin; Sun, Lin‐Bing %J AIChE Journal, Active sites modulation with Runge‐Gross theorem: CO2 capture by porphyrinic metal‐organic frameworks at excited states. e17994.

396 Ma, Zhongliang; Zhao, Yingyan; Wu, Zhaohui; Tang, Qinke; Ni, Jinlian; Zhu, Yunfeng; Zhang, Jiguang; Liu, Yana; Zhang, Yao; Li, Hai-Wen %J Nano Research, Air-stable magnesium nickel hydride with autocatalytic and self-protective effect for reversible hydrogen storage. 2022, 1-8.

395 Qin, Yao; You, Yajing; Jin, Guangzheng; Zhu, Wei; Zhu, Yudan; Wang, Qiutian; Lu, Xiaohua; Shi, Yijun %J AIChE Journal, Atomistic insight into the lubrication of glycerol aqueous solution: The role of the solid interface‐induced microstructure of fluid molecules. 2022, 68 (4), e17581.

394 Fang, Wei; Pan, Sudip; Su, Wei; Wang, Shuao; Zhao, Lili; Frenking, Gernot; Zhu, Congqing %J CCS Chemistry, Complex featuring two double dative bonds between carbon (0) and uranium. 2022, 4 (6), 1921-1929.

393 Xu, Xiaosong; Zhang, Renfa; Xia, Wenxin; Ma, Peng; Ma, Congming; Pan, Yong; Jiang, Juncheng %J Computational; Chemistry, Theoretical, Density functional theory study of CL-20/Nitroimidazoles energetic cocrystals in an external electric field. 2022, 1209, 113607.

392 Jia, Zhihong; Xing, Yuan; Ning, Yaru; Ding, Lipeng; Ehlers, FJH; Hao, Longlong; Liu, Qing %J Scripta Materialia, Density gradient segregation of Cu at the Si2Hf/Al interface in an Al-Si-Cu-Hf alloy. 2023, 222, 115022.

391 Zhang, Xin; Wei, Mingjie; Wang, Yong %J Desalination, Designing sub-nanometer pores for efficient boron removal. 2022, 533, 115755.

390 Ma, Qianli; Sun, Xu; Wang, Weili; Yang, Dongliang; Yang, Cangjie; Shen, Qian; Shao, Jinjun %J Chinese Chemical Letters, Diketopyrrolopyrrole‐derived organic small molecular dyes for tumor phototheranostics. 2022, 33 (4), 1681-1692.

389 Li, Ran; Yao, Lei; Wang, Yan-Bo; Zhu, Jun-Yan; Zhang, Lixiong; Fu, Ji-Ya; Zhang, Chuan-Bao; Zhao, Lili %J Organic Letters, Divergent Metal-Free [4+ 2] Cascade Reaction of 1-Indanylidenemalononitrile with 3-Benzylidenebenzofuran-2 (3 H)-one: Access to Spiro-dihydrofluorene-benzofuranone and Axially Chiral Fluorenylamine-phenol Derivatives. 2021, 23 (15), 5611-5615.

388 Gao, Haiguang; Shao, Yuting; Shi, Rui; Liu, Yana; Zhu, Jinglian; Liu, Jiangchuan; Zhu, Yunfeng; Zhang, Jiguang; Li, Liquan; Hu, Xiaohui %J ACS Applied Materials; Interfaces, Effect of Few-Layer Ti3C2T x Supported Nano-Ni via Self-Assembly Reduction on Hydrogen Storage Performance of MgH2. 2020, 12 (42), 47684-47694.

387 Li, Yunyu; Jiang, Yiming; Pan, Xuhai; Wang, Zhilei; Hua, Min; Wang, Qingyuan; Ta, La; Jiang, Juncheng %J Fuel, Effects of the arc-shaped corner on the shock wave and self-ignition induced by sudden release of pressurized hydrogen. 2021, 303, 121294.

386 Liu, Zhibing; Liu, Jiangchuan; Wu, Zhaohui; Tang, Qinke; Zhu, Yunfeng; Zhang, Jiguang; Liu, Yana; Zhang, Yao; Ba, Zhixin; Hu, Xiaohui %J Journal of Alloys; Compounds, Enhanced hydrogen sorption kinetics of MgH2 catalyzed by a novel layered Ni/Al2O3 hybrid. 2022, 895, 162682.

385 Gao, Haiguang; Shi, Rui; Liu, Yana; Zhu, Yunfeng; Zhang, Jiguang; Hu, Xiaohui; Li, Liquan %J Applied Surface Science, Enhanced hydrogen storage performance of magnesium hydride with incompletely etched Ti3C2Tx: The nonnegligible role of Al. 2022, 600, 154140.

384 Zhao, Yaqing; Gu, Yan; Zhang, Peng; Hu, Xiaohui; Wang, Yifeng; Zong, Peng’An; Pan, Lin; Lyu, Yinong; Koumoto, Kunihito %J Science; Materials, Technology of Advanced, Enhanced thermoelectric performance in polymorphic heavily Co-doped Cu2SnS3 through carrier compensation by Sb substitution. 2021, 22 (1), 363-372.

383 Yang, Qiang; Hu, Xiaohui; Shen, Xiaodong; Krasheninnikov, Arkady V; Chen, Zhongfang; Sun, Litao %J ACS Applied Materials; Interfaces, Enhancing Ferromagnetism and tuning electronic properties of CrI3 monolayers by adsorption of transition-metal atoms. 2021, 13 (18), 21593-21601.

382 Jiang, Yiming; Pan, Xuhai; Zhang, Tao; Wang, Zhilei; Wang, Qingyuan; Ta, La; Li, Yunyu; Hua, Min; Zhang, Bin; Jiang, Juncheng %J Process Safety; Protection, Environmental, Experimental study on pressure and flow characteristics of self-ignition hydrogen flowing into the unconfined space. 2022, 159, 120-132.

381 Gu, Yan; Ai, Wen; Pan, Lin; Hu, Xiaohui; Zong, Pengan; Chen, Changchun; Lu, Chunhua; Xu, Zhongzi; Wang, Yifeng %J Materials Today Physics, High thermoelectric performance of BiCuSeO via minimizing the electronegativity difference in Bi–O layer. 2022, 24, 100688.

380 Ding, Chengxiang; Yao, Lei; Zhao, Lili; Frenking, Gernot %J Physical Chemistry Chemical Physics, How to capture C 2 O 2: structures and bonding of neutral and charged complexes [(NHC)–C 2 O 2–(NHC)] q (NHC= N-heterocyclic carbene; q= 0, 1+, 2+). 2022, 24 (27), 16732-16745.

379 He, Wei; Zhang, Congcong; Zhang, Wenyan; Zhu, Yuchen; Fang, Zheng; Zhao, Lili; Guo, Kai %J Chemical Engineering Science, The integration of catalyst design and process intensification in the efficient synthesis of 5-hydroxymethyl-2-furancarboxylic acid from fructose. 2021, 245, 116858.

378 Ding, Lipeng; Weng, Yaoyao; Jia, Zhihong; Zang, Ruojin; Xiang, Kaiyun; Liu, Qing; Nagaum, Hiromi %J Philosophical Magazine, Interactive transformation mechanisms of multiple metastable precipitates in a Si-rich Al-Mg-Si alloy. 2022, 102 (16), 1602-1627.

377 Gao, Haiguang; Shi, Rui; Zhu, Jinglian; Liu, Yana; Shao, Yuting; Zhu, Yunfeng; Zhang, Jiguang; Li, Liquan; Hu, Xiaohui %J Applied Surface Science, Interface effect in sandwich like Ni/Ti3C2 catalysts on hydrogen storage performance of MgH2. 2021, 564, 150302.

376 Liao, Decai; Xu, Zhaoqin; Wei, Mingjie; Wang, Yong %J Molecular Simulation, Interference mechanism of cations on transport of lithium and magnesium inside COF nanofiltration membranes. 2022, 48 (15), 1369-1377.

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374 Liu, Jian; Bollmeyer, Melissa M; Kim, Yujeong; Xiao, Dengmengfei; MacMillan, Samantha N; Chen, Qi; Leng, Xuebing; Kim, Sun Hee; Zhao, Lili; Lancaster, Kyle M %J Journal of the American Chemical Society, An Isolable Mononuclear Palladium (I) Amido Complex. 2021, 143 (28), 10751-10759.

373 Huang, Runfeng; Cai, Jiali; Yao, Lei; Bai, Yuna; Guo, Kai; Zhao, Lili %J Journal of Computational Chemistry, Mechanistic study of cobalt (I)‐catalyzed asymmetric coupling of ethylene and enynes to functionalized cyclobutanes. 2022, 43 (7), 440-447.

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371 Huang, Hengming; Hu, Kan; Xue, Chen; Wang, Zhiliang; Fang, Zhenggang; Zhou, Ling; Sun, Menglong; Xu, Zhongzi; Kou, Jiahui; Wang, Lianzhou %J Journal of Materials Science; Technology, Metal-free π-conjugated hybrid g-C3N4 with tunable band structure for enhanced visible-light photocatalytic H2 production. 2021, 87, 207-215.

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369 Jin, Guangzheng; Song, Xinyao; Gao, Qingwei; Zhang, Yumeng; Chen, Yifeng; Lu, Xiaohua; Zhu, Yudan %J Industrial; Research, Engineering Chemistry, Molecular Understanding of the Solid Interface-Induced Microstructures of 1-Hexyl-3-methylimidazolium Bis (trifluoromethylsulfonyl) imide in Gas Absorption. 2022, 61 (10), 3754-3765.

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366 Yang, Dongliang; Sun, Liguo; Xue, Lei; Wang, Xiaorui; Hu, Yanling; Shao, Jinjun; Fu, Ling; Dong, Xiaochen %J Journal of Innovative Optical Health Sciences, Orthogonal Aza-BODIPY–BODIPY dyad as heavy-atom free photosensitizer for photo-initiated antibacterial therapy. 2022, 15 (01), 2250004.

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364 Zhang, Yajun; Jiang, Dandan; Fang, Zheng; Zhu, Ning; Sun, Naixian; He, Wei; Liu, Chengkou; Zhao, Lili; Guo, Kai %J Chemical Science, Photomediated core modification of organic photoredox catalysts in radical addition: mechanism and applications. 2021, 12 (27), 9432-9441.

363 Jiang, Yiming; Pan, Xuhai; Cai, Qiong; Wang, Zhilei; Klymenko, Oleksiy V; Hua, Min; Wang, Qingyuan; Zhang, Tao; Li, Yunyu; Jiang, Juncheng %J Renewable Energy, Physics and flame morphology of supersonic spontaneously combusting hydrogen spouting into air. 2022, 196, 959-972.

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360 Gu, Yan; Ai, Wen; Zhao, Yaqing; Pan, Lin; Lu, Chunhua; Zong, Pengan; Hu, Xiaohui; Xu, Zhongzi; Wang, Yifeng %J Journal of Materials Chemistry A, Remarkable thermoelectric property enhancement in Cu 2 SnS 3–CuCo 2 S 4 nanocomposites via 3D modulation doping. 2021, 9 (31), 16928-16935.

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320 Liu, Guoliang; Cai, Yahui; Yuan, Hongye; Zhang, Jinliang; Zhang, Zunmin; Zhao, Dan %J Journal of Membrane Science, Mesh membranes coated with zirconium metal-organic framework nanosheets of optimized morphology for oil-water separation. 2023, 668, 121077.

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318 Liu, Qiaoqiao; Lin, Guihong; Zhou, Jian; Huang, Liangliang; Liu, Chang %J Chinese Journal of Chemical Engineering, Hydrogen-bond mediated and concentrate-dependent NaHCO3 crystal morphology in NaHCO3–Na2CO3 aqueous solution: Experiments and computer simulations. 2022.

317 Tegladza, Isaac D; Liu, Qiaoqiao; Lin, Guihong; Zhou, Jian; Gu, Xuehong; Liu, Chang %J Journal of Crystal Growth, Effect of trace sodium polystyrene sulfonate on the solubility, nucleation and crystallization of thiourea from metastable zone width data. 2022, 598, 126869.

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302 Chen, Tao;  Pan, Dongxin; Zhu, Jie; Xie, Menglin; Li, Ting; Zhou, Yu; Wang, Jun %J Molecular Catalysis, A metal-/additive-free system for oxygen-mediated hydroxylation of benzene over polyfuran-functionalized hydrothermal carbocatalyst. 2022, 528, 112517.

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284 Gong, Lin-Quan; Li, Li; Pan, Yue; Jiang, Jia-Jia; Jiang, Jun-Cheng %J Thermochimica Acta, Thermal hazards and initial decomposition mechanisms study of four tert-butyl organic peroxides combining experiments with density functional theory method. 2022, 708, 179142.

283 Li, Sheng; Zhuang, Haiyang; Wang, Wei; Jin, Liguo; Dong, Zhengfang %J Shock; Vibration, Effect of Different Types of Middle Columns on the Seismic Performance of Single-Story Subway Station Structure. 2021, 2021, 1-18.

282 Cheng, Cheng; Wang, Jian; Zhao, Zhihao; Chen, Changchun; Cui, Sheng; Wang, Yifeng; Pan, Lin; Ni, Yaru; Lu, Chunhua %J Journal of Alloys; Compounds, S-scheme SrTiO3/porous ZnO derived by pyrolysis of ZIF-8 composite with efficient photocatalytic activity for pollutant degradation. 2022, 896, 163064.

281 Zhou, Yanjie; Chen, Liping; Gong, Yanfeng; Wang, Shilin %J Processes, Pore-scale simulations of particles migration and deposition in porous media using LBM-DEM coupling method. 2021, 9 (3), 465.

280 Liu, Tian; Liu, Zhangyong; Tang, Lipeng; Li, Jun; Yang, Zhuhong %J Catalysts, Trans Influence of Boryl Ligands in CO2 Hydrogenation on Ruthenium Complexes: Theoretical Prediction of Highly Active Catalysts for CO2 Reduction. 2021, 11 (11), 1356.

279 Yu, Jie; Guo, Yanan; Miao, Shuanshuan; Ni, Meng; Zhou, Wei; Shao, Zongping %J ACS applied materials; interfaces, Spherical ruthenium disulfide-sulfur-doped graphene composite as an efficient hydrogen evolution electrocatalyst. 2018, 10 (40), 34098-34107.

278 Ding, Riqing; Qin, Ke; Sun, Huili; Zhou, Shasha; Guo, Sidan; Feng, Hui; Ma, Huili; Qian, Zhaosheng %J Journal of Materials Chemistry C, Endowing nitro-compounds with bright and stimuli-responsive luminescence based on propeller-like AIEgens. 2021, 9 (36), 12177-12183.

277 Sun, Weiwei; Liu, Qiaoqiao; Lin, Guihong; Zhou, Jian; Huang, Liangliang; Liu, Chang %J ChemistrySelect, Crystallization of Sodium Bicarbonate in the Presence of Trace Amounts of HPMA. 2021, 6 (9), 2184-2188.

276 Sun, Yu; Chen, Mei %J Journal of Sound; Vibration, Modelling of periodic slab track using time-frequency hybrid Green's function method and its application to vehicle-track dynamic interaction. 2021, 511, 116327.

275 Cheng, Zijin; Zhang, Tian; Wang, Weili; Shen, Qing; Hong, Ying; Shao, Jinjun; Xie, Xiaoji; Fei, Zhenghao; Dong, Xiaochen %J Chinese Chemical Letters, DAD structured selenadiazolesbenzothiadiazole-based near-infrared dye for enhanced photoacoustic imaging and photothermal cancer therapy. 2021, 32 (4), 1580-1585.

274 Zhang, Yongwang; Wang, Lu %J Materials, Research on flashover prediction method of large-space timber structures in a fire. 2021, 14 (19), 5515.

273 Liu, Hao; Wang, Xiaoyuan; Wang, Kai; Zhu, Yalu; Zhu, Yuezhao %J Energy; Buildings, Numerical analysis of ground temperature response characteristics of a space-heating ground source heat pump system by utilizing super-long flexible heat pipes for heat extraction. 2021, 244, 110991.

272 Jing, Yang; Haiyang, Zhuang; Wei, Wang; Zhenghua, Zhou; Guoxing, Chen %J Soil Dynamics; Engineering, Earthquake, Seismic performance and effective isolation of a large multilayered underground subway station. 2021, 142, 106560.

271 Yao, Huicong; Yue, Chaoyu; Wang, Yinfeng; Chen, Haijun; Zhu, Yuezhao %J Case Studies in Thermal Engineering, Numerical investigation of the heat and mass transfer performance of a two-phase closed thermosiphon based on a modified CFD model. 2021, 26, 101155.

270 Qi, Shi-Chao; Liu, Xiao-Ying; Zhu, Rong-Rong; Xue, Ding-Ming; Liu, Xiao-Qin; Sun, Lin-Bing %J Chemical Engineering Journal, Causation of catalytic activity of Cu-ZnO for CO2 hydrogenation to methanol. 2022, 430, 132784.

269 Qi, Shi-Chao; Yang, Zhi-Hui; Zhu, Rong-Rong; Lu, Xiao-Jie; Xue, Ding-Ming; Liu, Xiao-Qin; Sun, Lin-Bing %J Journal of Materials Chemistry A, The cascade catalysis of the porphyrinic zirconium metal–organic framework PCN-224-Cu for CO 2 conversion to alcohols. 2021, 9 (43), 24510-24516.

268 Wan, Jingmeng; Nian, Mengjie; Yang, Chao; Ge, Kai; Liu, Junjie; Chen, Zhiquan; Duan, Jingui; Jin, Wanqin %J Journal of Membrane Science, Interface regulation of mixed matrix membranes by ultrathin MOF nanosheet for faster CO2 transfer. 2022, 642, 119991.

267 Gu, Yan; Ai, Wen; Zhao, Yaqing; Pan, Lin; Lu, Chunhua; Zong, Pengan; Hu, Xiaohui; Xu, Zhongzi; Wang, Yifeng %J Journal of Materials Chemistry A, Remarkable thermoelectric property enhancement in Cu 2 SnS 3–CuCo 2 S 4 nanocomposites via 3D modulation doping. 2021, 9 (31), 16928-16935.

266 Huang, Hengming; Xue, Chen; Fang, Zhenggang; Wang, Zhiliang; Luo, Bin; Sun, Menglong; Zhou, Ling; Hu, Kan; Kou, Jiahui; Wang, Lianzhou %J Nano Research, Bridging localized electron states of pyrite-type CoS 2 cocatalyst for activated solar H 2 evolution. 2022, 15, 202-208.

265 Chen, Tao; Ye, Tingting;  Zhu, Jie; Li, Guoqing; Chen, Zhe; Xie, Menglin; Zhou, Yu; Wang, Jun %J Applied Catalysis A: General, Small-sized biomass-derived hydrothermal carbon with enriched oxygen groups quickens benzene hydroxylation to phenol with dioxygen. 2021, 626, 118356.

264 Yu, Qing; Huang, Xuan; Zhang, Tian; Wang, Weili; Yang, Dongliang; Shao, Jinjun; Dong, Xiaochen %J Chemical Research in Chinese Universities, Near-infrared Aza-BODIPY dyes through molecular surgery for enhanced photothermal and photodynamic antibacterial therapy. 2021, 37 (4), 951-959.

263 Sun, Mingdong; Bian, Zhengyun; Cui, Weiwei; Zhao, Xiaolong; Dong, Shu; Ke, Xuebin; Zhou, Yu; Wang, Jun %J Chinese Journal of Chemical Engineering, Pyrolyzing soft template-containing poly (ionic liquid) into hierarchical N-doped porous carbon for electroreduction of carbon dioxide. 2022, 43, 192-201.

262 Yin, Zheng; Gu, Mingxing; Ma, Huili; Jiang, Xueyan; Zhi, Jiahuan; Wang, Yafei; Yang, Huifang; Zhu, Weiguo; An, Zhongfu %J Angewandte Chemie, Molecular engineering through control of structural deformation for highly efficient ultralong organic phosphorescence. 2021, 133 (4), 2086-2091.

261 Liu, Quan; Cheng, Long; Liu, Gongping %J Membranes, Enhanced selective hydrogen permeation through graphdiyne membrane: A theoretical study. 2020, 10 (10), 286.

260 Zhao, Lili; Pan, Sudip; Holzmann, Nicole; Schwerdtfeger, Peter; Frenking, Gernot %J Chemical reviews, Chemical bonding and bonding models of main-group compounds. 2019, 119 (14), 8781-8845.

259 Shao, Dong; Jiang, Gang; Zong, Chenfeng; Xing, Yun; Zheng, Zirui; Lv, Shuangshuang %J Soils; Foundations, Global sensitivity analysis of behavior of energy pile under thermo-mechanical loads. 2021, 61 (2), 283-302.

258 Zhao, Jingjing; Cheng, Jianjie; Li, Wei; Fu, Lijun %J International Journal of Multiphase Flow, A numerical analysis of the characteristics of interfacial waves on the onset of flooding in an inclined pipe. 2020, 132, 103400.

257 Huang, Hengming; Hu, Kan; Xue, Chen; Wang, Zhiliang; Fang, Zhenggang; Zhou, Ling; Sun, Menglong; Xu, Zhongzi; Kou, Jiahui; Wang, Lianzhou %J Journal of Materials Science; Technology, Metal-free π-conjugated hybrid g-C3N4 with tunable band structure for enhanced visible-light photocatalytic H2 production. 2021, 87, 207-215.

256 Gao, Xuechao; Li, Zhi; Chen, Cheng; Da, Chao; Liu, Lang; Tian, Sen; Ji, Guozhao, The determination of pore shape and interfacial barrier of entry for light gases transport in amorphous TEOS-Derived silica: A finite element methodACS Applied Materials & Interfaces 2021, 13, 4804–4812

255 Huang, Hengming; Hu, Kan; Xue, Chen; Wang, Zhiliang; Fang, Zhenggang; Zhou, Ling; Sun, Menglong; Xu, Zhongzi; Kou, Jiahui; Wang, Lianzhou; Lu, Chunhua, Metal-free -conjugated hybrid g-C3N4 with tunable band structure for enhanced visible-light photocatalytic H2 productionJournal of Materials Science & Technology 2021, 87, 207–215

254 Zhao, Jingjing; tao, Hanzhong; Cheng, Jianjie; Li, Wei; Fu, Lijun, A numerical analysis of the characteristics of interfacial waves on the onset of flooding in an inclined pipeInternational Journal of Multiphase Flow 2020, 132, 103400

253 Xing, Yun; Shao, Dong; Ma, Xieyao; Zhang, Shuaishuai; Jiang, Gang, Investigation of the importance of different factors of flood inundation modeling applied in urbanized area with variance-based global sensitivity analysisScience of The Total Environment 2021, 772, 145327

252 Shao, Dong; Xing, Yun; Zheng, Zirui; Jiang, Gang, Investigation of harbor oscillations originated from the vessel-induced bores using methods of autoregressive model and Mahalanobis distanceOcean Engineering 2020, 207, 107385

251 Shao, Dong; Jiang, Gang; Zong, Chenfeng; Xing, Yun; Zheng, Zirui; Lv, Shuangshuang, Global sensitivity analysis of behavior of energy pile under thermo-mechanical loadsSoils and Foundations 2021, 61, 283–302

250 Ambre, Ram; Wang, Ting-Hsuan; Xian, Anmei; Chen, Yu-Shiuan; Liang, Yu-Fu; Jurca, Titel; Zhao, Lili; Ong, Tiow-Gan, Directing group-promoted inert c-o bond activation using versatile boronic acid as a coupling agentChemistry A European Journal 2020, 26, 17021–17026

249 Pan, Sudip; Jana, Gourhari; Saha, Ranajit; Zhao, Lili; Chattaraj, Pratim K., Intriguing structural, bonding and reactivity features in some beryllium containing complexesPhysical Chemistry Chemical Physics 2020, 22, 27476–27495

248 Duan, Jindian; Mao, Yiyang; Xian, Anmei; Rong, Binsen; Xu, Gaochen; Li, Zhenjiang; Zhao, Lili; Zhu, Ning; Guo, Kai, Copper-catalyzed regioselective [32] annulation of malonate-tethered acyl oximes with isatinsChemical Communications 2021, 57, 3379–3382

247 Fu, Mingxing; Pan, Sudip; Zhao, Lili; Frenking, Gernot, Bonding analysis of the shortest bond between two atoms heavier than hydrogen and helium: O22Journal of Physical Chemistry A 2020, 124, 1087–1092

246 Pan, Sudip; Zhao, Lili; Frenking, Gernot, Bonding in m(NHBMe)2 and M[Mn(CO)5]2 complexes (M=Zn, cd, hg NHBMe=(HCNMe)2B): divalent group 12 metals with zero oxidation stateTheoretical chemistry accounts 2021, 140, nan

245 Wang, Ting-Hsuan; Ambre, Ram; Wang, Qing; Lee, Wei-Chih; Wang, Pen-Cheng; Liu, Yuhua; Zhao, Lili; Ong, Tiow-Gan, Nickel-catalyzed heteroarenes cross coupling via tandem C–H/C–O activationAcs Catalysis 2018, 8, 11368–11376

244 Deng, Guohai; Lei, Shujun; Pan, Sudip; Jin, Jiaye; Wang, Guanjun; Zhao, Lili; Zhou, Mingfei; Frenking, Gernot, Filling a gap: The coordinatively saturated group 4 carbonyl complexes TM(CO) 8 (TM=Zr, hf) and ti(CO) 7Chemistry A European Journal 2020, 26, 10487–10500

243 Su, Wei; Ma, Yanshun; Xiang, Libo; Wang, Junyi; Wang, Shuao; Zhao, Lili; Frenking, Gernot; Ye, Qing, Isolation of a uranium(III)-Carbon multiple bond complexChemistry A European Journal 2021, 27, 10006–10011

242 Zhu, Jun-Yan; Xu, Ya-Lun; Li, Qianqian; Zhang, Chuan-Bao; Wang, Yan-Bo; Zhang, Lixiong; Fu, Ji-Ya; Zhao, Lili, Monitoring the hierarchical evolution from a double-stranded helix to a well-defined microscopic morphology based on a turbine-like aromatic moleculeACS Omega 2020, 5, 16612–16618

241 Cui, Zhong-hua; Chen, Chen; Wang, Qing; Zhao, Lili; Wang, Meng-hui; Ding, Yi-hong, Inverse sandwich complexes of B7M2-, B8M2, and B9M2 (M = Zr, Hf): the nonclassical M–M bonds embedded in monocyclic boron ringsNew Journal of Chemistry 2020, 44, 17705–17713

240 Cui, Xianlu; Ding, Chengxiang; Zhang, Congcong; Jiao, Zixian; Zhang, Lixiong; Zhao, Xuefei; Zhao, Lili, Computational mechanistic study of brønsted acid-catalyzed unsymmetrical 1,2,4,5-Tetrazines synthesisJournal of Physical Chemistry A 2021, 125, 4715–4726

239 Wang, Qian; Pan, Sudip; Wu, Yan-Bo; Deng, Guohai; Bian, Jian-Hong; Wang, Guanjun; Zhao, Lili; Zhou, Mingfei; Frenking, Gernot, Transition-metal chemistry of alkaline-earth elements: The trisbenzene complexes M(Bz) 3 (M=Sr, ba)Angewandte Chemie International Edition 2019, 58, 17365–17374

238 Leung, Tsz-Fai; Jiang, Dandan; Wu, Ming-Chun; Xiao, Dengmengfei; Ching, Wei-Min; Yap, Glenn P. A.; Yang, Tao; Zhao, Lili; Ong, Tiow-Gan; Frenking, Gernot, Isolable dicarbon stabilized by a single phosphine ligandNature Chemistry 2020, 13, 89–93

237 Siddiqui, Mujahuddin M.; Sarkar, Samir Kumar; Nazish, Mohd; Morganti, Massimiliano; Köhler, Christian; Cai, Jiali; Zhao, Lili; Herbst-Irmer, Regine; Stalke, Dietmar; Frenking, Gernot; Roesky, Herbert W., Donor-stabilized Antimony(I) and Bismuth(I) ions: Heavier valence isoelectronic analogues of carbonesJournal of The American Chemical Society 2021, 143, 1301–1306

236 Zhong, Mingdong; Cui, Xianlu; Wu, Botao; Wang, Gao-Xiang; Zhang, Wen-Xiong; Wei, Junnian; Zhao, Lili; Xi, Zhenfeng, Dinitrogen functionalization affording structurally well-defined cobalt diazenido complexesCCS Chem. 2021, 0, 856–863

235 Zhao, Xuefei; Xiao, Dengmengfei; Cui, Xianlu; Chai, Chaoqun; Zhao, Lili, Mechanistic insight into the organocalcium-mediated nucleophilic alkylation of benzene and further rational designCatalysis Science & Technology 2020, 10, 950–958

234 Lin, Changqu; Chai, Chaoqun; Li, Yuanzhang; Chen, Jiao; Lu, Yanyu; Wu, Hongli; Zhao, Lili; Cao, Fei; Chen, Kequan; Wei, Ping; Ouyang, Pingkai, CaCl2 molten salt hydrate-promoted conversion of carbohydrates to 5-hydroxymethylfurfural: an experimental and theoretical studyGreen Chemistry 2021, 23, 2058–2068

233 Cui, Xianlu; Li, Qianqian; Yao, Lei; Ma, Yanshun; Zhang, Lixiong; Zhang, Chuanbao; Zhao, Lili, Mechanistic study of the n-quaternized pyridoxal-catalyzed biomimetic asymmetric mannich reaction: Insights into the origins of enantioselectivity and diastereoselectivityJournal of Organic Chemistry 2021, 86, 6592–6599

232 Deng, Guohai; Pan, Sudip; Dong, Xuelin; Wang, Guanjun; Zhao, Lili; Zhou, Mingfei; Frenking, Gernot, CO-Induced dinitrogen fixation and cleavage mediated by boronChemistry A European Journal 2020, 27, 2131–2137

231 Yang, Wenbang; Zhang, Li; Xiao, Dengmengfei; Feng, Rui; Wang, Wenqing; Pan, Sudip; Zhao, Yue; Zhao, Lili; Frenking, Gernot; Wang, Xinping, A diradical based on odd-electron -bondsNature communications 2020, 11, nan

230 Pan, Sudip; Zhao, Lili; Merino, Gabriel, Improvement in hydrogen binding ability of closo-dicarboranes via functionalization and designing of extended frameworksJournal of molecular modeling 2018, 24, nan

229 Chi, Chaoxian; Pan, Sudip; Jin, Jiaye; Meng, Luyan; Luo, Mingbiao; Zhao, Lili; Zhou, Mingfei; Frenking, Gernot, Octacarbonyl ion complexes of actinides [An(CO) 8 ] /- (An=Th, u) and the role of f orbitals in Metal–Ligand bondingChemistry A European Journal 2019, 25, 11772–11784

228 Jiang, Dandan; Li, Xiaojun; Cai, Jiali; Bai, Yuna; Zhang, Lixiong; Zhao, Lili, Mechanistic study of the cooperative palladium/Lewis acid-catalyzed transfer hydrocyanation reaction: the origin of the regioselectivityDalton Transactions 2021, 50, 1233–1238

227 Cui, Haiyan; Xiao, Dengmengfei; Zhang, Li; Ruan, Huapeng; Fang, Yong; Zhao, Yue; Tan, Gengwen; Zhao, Lili; Frenking, Gernot; Driess, Matthias; Wang, Xinping, Isolable cyclic radical cations of heavy main-group elementsChemical Communications 2020, 56, 2167–2170

226 Su, Wei; Pan, Sudip; Sun, Xiong; Zhao, Lili; Frenking, Gernot; Zhu, Congqing, Cerium–carbon dative interactions supported by carbodiphosphoraneDalton Transactions 2019, 48, 16108–16114

225 Zhao, Lili; Pan, Sudip; Holzmann, Nicole; Schwerdtfeger, Peter; Frenking, Gernot, Chemical bonding and bonding models of main-group compoundsChemical Reviews 2019, 119, 8781–8845

224 Liu, Quan; Chen, Mingqiang; Mao, Yangyang; Liu, Gongping, Theoretical study on Janus graphene oxide membrane for water transportFrontiers of Chemical Science and Engineering 2020, 15, 913–921

223 Chen, Yuan; Qin, Jinchao; Tong, Tong; Zhou, Haoli; Cao, Xingzhong; Jin, Wanqin, Study on the effect of crosslinking temperature on microporous polyamide membrane structure and its nitrogen/cyclohexane separation performanceSeparation and Purification Technology 2020, 252, 117401

222 Liu, Quan; Liu, Yulu; Liu, Gongping, Simulation of cations separation through charged porous graphene membraneChemical Physics Letters 2020, 753, 137606

221 Zhang, Chi; Gao, Xue; Qin, Jinchao; Guo, Qingkai; Zhou, Haoli; Jin, Wanqin, Microporous polyimide VOC-rejective membrane for the separation of nitrogen/VOC mixtureJournal of Hazardous Materials 2021, 402, 123817

220 Liu, Quan; Cheng, Long; Liu, Gongping, Enhanced selective hydrogen permeation through graphdiyne membrane: A theoretical studyMembranes 2020, 10, 286

219 Lv, Anqi; Yu, Ze; Mao, Yufeng; Zheng, Xiaoyan; Shi, Wen; Shi, Huifang; Yao, Wei; Ma, Huili; An, Zhongfu, Molecular conformation dependence of phosphorescence lifetime in organic aggregatesDyes and Pigments 2021, 193, 109520

218 Zhao, Weijun; Liu, Zhiyang; Yu, Jie; Lu, Xuefeng; Lam, Jacky W. Y.; Sun, Jinyan; He, Zikai; Ma, Huili; Tang, Ben Zhong, Turning on solid-state luminescence by phototriggered subtle molecular conformation variationsAdvanced Materials 2020, 33, 2006844

217 Song, Lulu; Wang, Xiao; Zhang, Meng; Jia, Wenyong; Wang, Qian; Ye, Wenpeng; Wang, He; Lv, Anqi; Ma, Huili; Gu, Long; Shi, Huifang; An, Zhongfu; Huang, Wei, A single-component supramolecular organic framework with efficient ultralong phosphorescenceCCS Chem 2021, 3, 466–472

216 Yin, Zheng; Gu, Mingxing; Ma, Huili; Jiang, Xueyan; Zhi, Jiahuan; Wang, Yafei; Yang, Huifang; Zhu, Weiguo; An, Zhongfu, Molecular engineering through control of structural deformation for highly efficient ultralong organic phosphorescenceAngewandte Chemie International Edition 2020, 60, 2058–2063

215 Sun, Mingdong; Bian, Zhengyun; Cui, Weiwei; Zhao, Xiaolong; Dong, Shu; Ke, Xuebin; Zhou, Yu; Wang, Jun, Pyrolyzing soft template-containing poly(ionic liquid) into hierarchical N-doped porous carbon for electroreduction of carbon dioxideChinese Journal of Chemical Engineering 2021, 0, nan

214 Yu, Qing; Huang, Xuan; Zhang, Tian; Wang, Weili; Yang, Dongliang; Shao, Jinjun; Dong, Xiaochen, Near-infrared aza-BODIPY dyes through molecular surgery for enhanced photothermal and photodynamic antibacterial therapyChemical Research in Chinese Universities 2021, 37, 951–959

213 Zhang, Hongyan; Ma, Huili; Huang, Wenbin; Gong, Wenqi; He, Zikai; Huang, Guangxi; Li, Bing Shi; Tang, Ben Zhong, Controllable room temperature phosphorescence, mechanoluminescence and polymorphism of a carbazole derivativeMaterials Horizons 2021, 8, 2816-2822

212 Chen, Tao; Ye, Tingting; Zhu, Jie; Li, Guoqing; Chen, Zhe; Xie, Menglin; Zhou, Yu; Wang, Jun, Small-sized biomass-derived hydrothermal carbon with enriched oxygen groups quickens benzene hydroxylation to phenol with dioxygenApplied Catalysis A: General 2021, 626, 118356

211 Huang, Hengming; Xue, Chen; Fang, Zhenggang; Wang, Zhiliang; Luo, Bin; Sun, Menglong; Zhou, Ling; Hu, Kan; Kou, Jiahui; Wang, Lianzhou; Lu, Chunhua, Bridging localized electron states of pyrite-type CoS2 cocatalyst for activated solar H2 evolutionNano Research 2021, 15, 202–208

210 Yang, Qiang; Hu, Xiaohui; Shen, Xiaodong; Krasheninnikov, Arkady V.; Chen, Zhongfang; Sun, Litao, Enhancing ferromagnetism and tuning electronic properties of CrI3 monolayers by adsorption of transition-metal atomsACS Applied Materials & Interfaces 2021, 13, 21593–21601

209 Hu, Xiaohui; Zhao, Yinghe; Shen, Xiaodong; Krasheninnikov, Arkady V.; Chen, Zhongfang; Sun, Litao, Enhanced ferromagnetism and tunable magnetism in Fe3GeTe2 monolayer by strain engineeringACS Applied Materials & Interfaces 2020, 12, 26367–26373

208 Song, Kefan; Ai, Wen; Zhang, Yuan; Zeng, Yating; Yu, Yawei; Qiao, Handan; Liu, Zeyu; Shen, Xiaodong; Hu, Xiaohui; Hu, Xiulan, Three-dimensional self-supported CuCo2O4 nanowires@NiO nanosheets core/shell arrays as an oxygen electrode catalyst for Li–O2 batteriesJournal of Materials Chemistry A: Materials for Energy and Sustainability 2021, 9, 3007–3017

207 Liu, Lifei; Kou, Liangzhi; Wang, Yifeng; Lu, Chunhua; Hu, Xiaohui, Electronic and effective mass modulation in 2D BCN by strain engineeringNanotechnology 2020, 31, 455702

206 Liu, Lifei; Hu, Xiaohui; Wang, Yifeng; Krasheninnikov, Arkady V; Chen, Zhongfang; Sun, Litao, Tunable electronic properties and enhanced ferromagnetism in Cr2Ge2Te6 monolayer by strain engineeringNanotechnology 2021, 32, 485408

205 Yang, Qiang; Kou, Liangzhi; Hu, Xiaohui; Wang, Yifeng; Lu, Chunhua; Krasheninnikov, Arkady V; Sun, Litao, Strain robust spin gapless semiconductors/half-metals in transition metal embedded MoSe2 monolayerJournal of Physics: Condensed Matter 2020, 32, 365305

204 Wang, Jixiang; Kou, Liangzhi; Ni, Yaru; Hu, Xiaohui, Strain-tuned magnetism and half-metal to metal transition in defective BCN monolayerJournal of Physics: Condensed Matter 2021, 33, 235502

203 Gu, Yan; Ai, Wen; Zhao, Yaqing; Pan, Lin; Lu, Chunhua; Zong, Pengan; Hu, Xiaohui; Xu, Zhongzi; Wang, Yifeng, Remarkable thermoelectric property enhancement in Cu2SnS3–CuCo2S4 nanocomposites via 3D modulation dopingJournal of Materials Chemistry A: Materials for Energy and Sustainability 2021, 9, 16928–16935

202 Wan, Jingmeng; Nian, Mengjie; Yang, Chao; Ge, Kai; Liu, Junjie; Chen, Zhiquan; Duan, Jingui; Jin, Wanqin, Interface regulation of mixed matrix membranes by ultrathin MOF nanosheet for faster CO2 transferJournal of Membrane Science 2022, 642, 119991

201 Qi, Shi-Chao; Yang, Zhi-Hui; Zhu, Rong-Rong; Lu, Xiao-Jie; Xue, Ding-Ming; Liu, Xiao-Qin; Sun, Lin-Bing, The cascade catalysis of the porphyrinic zirconium metal–organic framework PCN-224-Cu for CO2 conversion to alcoholsJournal of Materials Chemistry A: Materials for Energy and Sustainability 2021, 9, 24510–24516

200 Qi, Shi-Chao; Liu, Xiao-Ying; Zhu, Rong-Rong; Xue, Ding-Ming; Liu, Xiao-Qin; Sun, Lin-Bing, Causation of catalytic activity of Cu-ZnO for CO2 hydrogenation to methanolChemical Engineering Journal 2022, 430, 132784

199 Yao, Huicong; Yue, Chaoyu; Wang, Yinfeng; Chen, Haijun; Zhu, Yuezhao, Numerical investigation of the heat and mass transfer performance of a two-phase closed thermosiphon based on a modified CFD modelCase Studies in Thermal Engineering 2021, 26, 101155

198 Zhuang, Haiyang; Yang, Jing; Chen, Su; Dong, Zhengfang; Chen, Guoxing, Statistical numerical method for determining seismic performance and fragility of shallow-buried underground structureTunnelling and Underground Space Technology 2021, 116, 104090

197 Jing, Yang; Haiyang, Zhuang; Wei, Wang; Zhenghua, Zhou; Guoxing, Chen, Seismic performance and effective isolation of a large multilayered underground subway stationSoil Dynamics and Earthquake Engineering 2021, 142, 106560

196 Liu, Hao; Wang, Xiaoyuan; Wang, Kai; Zhu, Yalu; Zhu, Yuezhao, Numerical analysis of ground temperature response characteristics of a space-heating ground source heat pump system by utilizing super-long flexible heat pipes for heat extractionEnergy and Buildings 2021, 244, 110991

195 Zhang, Yongwang; Wang, Lu; Chen, Li, Energy-based time equivalent approach for evaluating the fire resistance of timber components exposed to realistic design fire curvesStruct Design Tall Spec Build 2021, 30, nan

194 Zhang, Yongwang; Wang, Lu, Research on flashover prediction method of large-space timber structures in a fireMaterials 2021, 14, 5515

193 Wang, Zhichao; Peng, Qinqin; Huang, Xuan; Ma, Qianli; Shao, Jinjun; Shen, Qian, Recent progress of Acenaphthylene-imide-fused polycyclic aromatic hydrocarbons: Synthesis and applicationDyes and Pigments 2021, 185, 108877

192 Yu, Qing; Huang, Xuan; Zhang, Tian; Wang, Weili; Yang, Dongliang; Shao, Jinjun; Dong, Xiaochen, Near-infrared aza-BODIPY dyes through molecular surgery for enhanced photothermal and photodynamic antibacterial therapyChemical Research in Chinese Universities 2021, 37, 951–959

191 Cheng, Zijin; Zhang, Tian; Wang, Weili; Shen, Qing; Hong, Ying; Shao, Jinjun; Xie, Xiaoji; Fei, Zhenghao; Dong, Xiaochen, D-A-D structured selenadiazolesbenzothiadiazole-based near-infrared dye for enhanced photoacoustic imaging and photothermal cancer therapyChinese Chemical Letters 2021, 32, 1580–1585

190 Sun, Yu; Ling, Liang, An optimal tangential contact model for wheel-rail non-Hertzian contact analysis and its application in railway vehicle dynamics simulationVehicle System Dynamics 2021, 0, 1–29

189 Sun, Yu; Chen, Mei, Modelling of periodic slab track using time-frequency hybrid Greens function method and its application to vehicle-track dynamic interactionJournal of Sound and Vibration 2021, 511, 116327

188 Sun, Weiwei; Liu, Qiaoqiao; Lin, Guihong; Zhou, Jian; Huang, Liangliang; Liu, Chang, Crystallization of sodium bicarbonate in the presence of trace amounts of HPMAChemistrySelect 2021, 6, 2184–2188

187 Zhao, Weijun; Liu, Zhiyang; Yu, Jie; Lu, Xuefeng; Lam, Jacky W. Y.; Sun, Jinyan; He, Zikai; Ma, Huili; Tang, Ben Zhong, Turning on solid-state luminescence by phototriggered subtle molecular conformation variationsAdvanced Materials 2020, 33, 2006844

186 Ye, Wenpeng; Ma, Huili; Shi, Huifang; Wang, He; Lv, Anqi; Bian, Lifang; Zhang, Meng; Ma, Chaoqun; Ling, Kun; Gu, Mingxing; Mao, Yufeng; Yao, Xiaokang; Gao, Chaofeng; Shen, Kang; Jia, Wenyong; Zhi, Jiahuan; Cai, Suzhi; Song, Zhicheng; Li, Jingjie; Zhang, Yanyun; Lu, Song; Liu, Kun; Dong, Chaomin; Wang, Qian; Zhou, Yudong; Yao, Wei; Zhang, Yujian; Zhang, Hongmei; Zhang, Zaiyong; Hang, Xiaochun; An, Zhongfu; Liu, Xiaogang; Huang, Wei, Confining isolated chromophores for highly efficient blue phosphorescenceNature Materials 2021, 20, 1539–1544

185 Song, Lulu; Wang, Xiao; Zhang, Meng; Jia, Wenyong; Wang, Qian; Ye, Wenpeng; Wang, He; Lv, Anqi; Ma, Huili; Gu, Long; Shi, Huifang; An, Zhongfu; Huang, Wei, A single-component supramolecular organic framework with efficient ultralong phosphorescenceCCS Chemistry 2021, 3, 466–472

184 Huang, Kaiwei; Song, Lulu; Liu, Kun; Lv, Anqi; Singh, Manjeet; Shen, Kang; Shen, Jing; Wang, Jiamin; Wang, Hongchen; Shi, Huifang; Ma, Huili; Gu, Mingxing; Sun, Gengzhi; Yao, Wei; An, Zhongfu; Huang, Wei, Elastic organic crystals with ultralong phosphorescence for flexible anti-counterfeitingnpj Flex Electron 2021, 5, nan

183 Lv, Anqi; Yu, Ze; Mao, Yufeng; Zheng, Xiaoyan; Shi, Wen; Shi, Huifang; Yao, Wei; Ma, Huili; An, Zhongfu, Molecular conformation dependence of phosphorescence lifetime in organic aggregatesDyes and Pigments 2021, 193, 109520

182 Cai, Suzhi; Sun, Zhifang; Wang, He; Yao, Xiaokang; Ma, Huili; Jia, Wenyong; Wang, Shuxu; Li, Zhihao; Shi, Huifang; An, Zhongfu; Ishida, Yasuhiro; Aida, Takuzo; Huang, Wei, Ultralong organic phosphorescent foams with high mechanical strengthJournal of The American Chemical Society 2021, 143, 16256–16263

181 Yin, Zheng; Gu, Mingxing; Ma, Huili; Jiang, Xueyan; Zhi, Jiahuan; Wang, Yafei; Yang, Huifang; Zhu, Weiguo; An, Zhongfu, Molecular engineering through control of structural deformation for highly efficient ultralong organic phosphorescenceAngewandte Chemie International Edition 2020, 60, 2058–2063

180 Qin, Ke; Gong, Wenqi; Gao, Jia; Hu, Deping; Shi, Huifang; Yao, Wei; An, Zhongfu; Ma, Huili, Theoretical insight into the ultralong room-temperature phosphorescence of nonplanar aromatic hydrocarbonFrontiers in Chemistry 2021, 9, nan

179 Liu, Kun; Huang, Kaiwei; Lv, Anqi; Ye, Wenpeng; Yang, Yijun; Shen, Kang; Zhi, Jiahuan; Wang, He; Zhang, Renxiang; Wang, Jiamin; Ma, Huili; Shi, Huifang; Yao, Wei; An, Zhongfu; Huang, Wei, Tunable microstructures of ultralong organic phosphorescence materialsChemical Communications 2021, 57, 7276–7279

178 Ding, Riqing; Qin, Ke; Sun, Huili; Zhou, Shasha; Guo, Sidan; Feng, Hui; Ma, Huili; Qian, Zhaosheng, Endowing nitro-compounds with bright and stimuli-responsive luminescence based on propeller-like AIEgensJournal of Materials Chemistry C: Materials for Optical and Electronic Devices 2021, 9, 12177–12183

177 Lu, Yushuang; Huang, Lijuan; Guo, Yanan; Yang, Xiaoning, Theoretical insights into origin of graphene oxide acidity and relating behavior of oxygen-containing groups in waterCarbon 2021, 183, 355–361

176 Dong, Qiubing; Zhang, Xin; Liu, Shuang; Lin, Rui-Biao; Guo, Yanan; Ma, Yunsheng; Yonezu, Akira; Krishna, Rajamani; Liu, Gongpin; Duan, Jingui; Matsuda, Ryotaro; Jin, Wanqin; Chen, Banglin, Tuning gate-opening of a flexible Metal–Organic framework for ternary gas sieving separationAngewandte Chemie 2020, 132, 22944–22950

175 Wang, Zhenggang; Yuan, Jianwei; Li, Renhao; Zhu, Haipeng; Duan, Jingui; Guo, Yanan; Liu, Gongping; Jin, Wanqin, ZIF-301 MOF/6FDA-DAM polyimide mixed-matrix membranes for CO2/CH4 separationSeparation and Purification Technology 2021, 264, 118431

174 Chen, Gao; Guo, Yanan; Miao, Shuanshuan; Sun, Hainan; Gu, Binbin; Li, Wenhuai; Zhong, Yijun; Zhou, Wei; Shao, Zongping, Constructing self-standing and non-precious metal heterogeneous nanowire arrays as high-performance oxygen evolution electrocatalysts: Beyond the electronegativity effect of the substrateJournal of Power Sources 2018, 396, 421–428

173 Chen, Luohao; Guo, Yanan; Xu, Zhijun; Yang, Xiaoning, Multiscale simulation of the interaction and adsorption of ions on a hydrophobic graphene surfaceChemphyschem : a European journal of chemical physics and physical chemistry 2018, 19, 2954–2960

172 Wu, Xinhao; Guo, Yanan; Sun, Zengsen; Xie, Fenghua; Guan, Daqin; Dai, Jie; Yu, Fengjiao; Hu, Zhiwei; Huang, Yu-Cheng; Pao, Chih-Wen; Chen, Jeng-Lung; Zhou, Wei; Shao, Zongping, Fast operando spectroscopy tracking in situ generation of rich defects in silver nanocrystals for highly selective electrochemical CO2 reductionNature communications 2021, 12, nan

171 Dong, Qiubing; Guo, Yanan; Cao, Haifei; Wang, Suna; Matsuda, Ryotaro; Duan, Jingui, Accelerated C2H2/CO2 separation by a se-functionalized porous coordination polymer with low binding energyACS Applied Materials & Interfaces 2020, 12, 3764–3772

170 Jiang, Qiuwei; Guo, Yanan; Xu, Zhijun; Yang, Xiaoning, DFT insights into the interfacial chemical behavior of hybrid LDH/GO nanocompositesJournal of Physical Chemistry C 2018, 123, 1692–1699

169 Yu, Jie; Guo, Yanan; Miao, Shuanshuan; Ni, Meng; Zhou, Wei; Shao, Zongping, Spherical ruthenium disulfide-sulfur-doped graphene composite as an efficient hydrogen evolution electrocatalystACS Applied Materials & Interfaces 2018, 10, 34098–34107

168 Liu, Tian; Liu, Zhangyong; Tang, Lipeng; Li, Jun; Yang, Zhuhong, Trans influence of boryl ligands in CO2 hydrogenation on ruthenium complexes: Theoretical prediction of highly active catalysts for CO2 reductionCatalysts (Basel, Switzerland) 2021, 11, 1356

167 Zhou, Yanjie; Chen, Liping; Gong, Yanfeng; Wang, Shilin, Pore-scale simulations of particles migration and deposition in porous media using LBM-DEM coupling methodProcesses 2021, 9, 465

166 Cheng, Cheng; Wang, Jian; Zhao, Zhihao; Chen, Changchun; Cui, Sheng; Wang, Yifeng; Pan, Lin; Ni, Yaru; Lu, Chunhua, S-scheme SrTiO3/porous ZnO derived by pyrolysis of ZIF-8 composite with efficient photocatalytic activity for pollutant degradationJournal of Alloys and Compounds 2022, 896, 163064

165.Gao, Xuechao; Da, Chao; Chen, Cheng; Li, Zongheng; Gu, Xuehong; Bhatia, Suresh K., The induced orientation effect of linear gases during transport in a NaA zeolite membrane modified by alkali lignin. Journal of Membrane Science 2021, 620, 118971.

164 Dong, Qiubing; Zhang, Xin; Liu, Shuang; Lin, Rui-Biao; Guo, Yanan; Ma, Yunsheng; Yonezu, Akira; Krishna, Rajamani; Liu, Gongpin; Duan, Jingui; Matsuda, Ryotaro; Jin, Wanqin; Chen, Banglin, Tuning Gate-Opening of a Flexible Metal-Organic Framework for Ternary Gas Sieving Separation. Angew. Chem.-Int. Edit. 2020.

163 Xu, Hengyue; Liu, Pengfei; Zhang, Wenjie; Wang, Qiang; Yang, Yanhui, Structure, stability, electronic and magnetic properties of monometallic Pd, Pt, and bimetallic Pd-Pt core-shell nanoparticles. Chemical Physics 2020, 539.

162 Wang, Qiang; Liu, Pengfei; Bian, Xin; Huang, Jianmei; Li, Wei-qi; Chen, Guang-hui; Yang, Yanhui, Adlayer-substrate interactions in controlled growth of graphene/h-BN heterostructure on Ni(111) and Cu(111) surfaces. Applied Surface Science 2019, 480, 154-161.

161 Mao, Xianxian; Li, Wei; Zhu, Shiyu; Zou, Juan; Tian, Hongyan; Duan, Yuting; Wang, Yuntao; Fei, Jiayue; Wang, Xiaojian, Bifunctional pyridoxal derivatives as efficient bioorthogonal reagents for biomacromolecule modifications. Chem. Commun. 2020, 56 (55), 7601-7604.

160 Haiyang, Zhuang; Jing, Yang; Su, Chen; Hongxu, Li; Kai, Zhao; Guoxing, Chen, Liquefaction performance and deformation of slightly sloping site in floodplains of the lower reaches of Yangtze River. Ocean Engineering 2020, 217, 107869.

159 Nadimi, Sadegh; Ghanbarzadeh, Ali; Neville, Anne; Ghadiri, Mojtaba, Effect of particle roughness on the bulk deformation using coupled boundary element and discrete element methods. Computational Particle Mechanics 2020, 7 (3), 603-613.

158 Zhao, Jingjing; tao, Hanzhong; Cheng, Jianjie; Li, Wei; Fu, Lijun, A numerical analysis of the characteristics of interfacial waves on the onset of flooding in an inclined pipe. International Journal of Multiphase Flow 2020, 132, 103400.

157 Su, Zhibin; Zhang, Yingying; Huang, Liangliang; Wang, Shanshan; Zhu, Yudan; Li, Licheng; Lu, Xiaohua, Acetone adsorption on activated carbons: Roles of functional groups and humidity. Fluid Phase Equilib. 2020, 521, 112645.

156 Hu, Xiaohui; Zhao, Yinghe; Shen, Xiaodong; Krasheninnikov, Arkady V.; Chen, Zhongfang; Sun, Litao, Enhanced Ferromagnetism and Tunable Magnetism in Fe3GeTe2 Monolayer by Strain Engineering. ACS Appl. Mater. Interfaces 2020, 12 (23), 26367-26373.

155 Ai, Wen; Hu, Xiao-Hui; Pan, Lin; Chen, Chang-Chun; Wang, Yi-Feng; Shen, Xiao-Dong, Sensing performance of two-dimensional WTe2-based gas sensors. Acta Physica Sinica 2019, 68 (19).

154 Liu, Lifei; Kou, Liangzhi; Wang, Yifeng; Lu, Chunhua; Hu, Xiaohui, Electronic and effective mass modulation in 2D BCN by strain engineering. Nanotechnology 2020, 31 (45).

153 Luo, Q.; Li, L.; Ma, H. L.; Lv, C. Y.; Jiang, X. Y.; Gu, X. G.; An, Z. F.; Zou, B.; Zhang, C.; Zhang, Y. J., Deep-red fluorescence from isolated dimers: a highly bright excimer and imagingin vivo. Chemical Science 2020, 11 (23), 6020-6025.

152 Yang, Q.; Kou, L. Z.; Hu, X. H.; Wang, Y. F.; Lu, C. H.; Krasheninnikov, A. V.; Sun, L. T., Strain robust spin gapless semiconductors/half-metals in transition metal embedded MoSe(2)monolayer. J. Phys.-Condes. Matter 2020, 32 (36), 8.

151 Wang, Shengnian; Li, Yue; Gao, Xinqun; Xue, Qinpei; Zhang, Peng; Wu, Zhijian, Influence of volumetric block proportion on mechanical properties of virtual soil-rock mixtures. Engineering Geology 2020, 278, 105850.

150 Huang, Liping; Shang, Zhengcong; Gao, Mingyuan; Miao, Chunyang; Cheng, Yingchun; Huang, Wei, Optimized Parameters for Identifying the Layer Number of Few Layer Chromium Tri-iodide from a Theoretical Perspective: Implications for Two-Dimensional Spintronics. Acs Applied Nano Materials 2020, 3 (8), 8382-8388.

149 艾雯, -; 胡小会, -; 潘林, -; 陈长春, -; 王一峰, -; 沈晓冬, -, - 二维材料WTe₂用于气体传感器的性能研究 %J - 物理学报. 2019, - 68 (- 19), - 197101-1.

148 Yao, Wei; Ma, Chaoqun; Ma, Huili; Fu, Lishun; Lu, Song; Lv, Anqi; Cai, Suzhi; Hang, Xiaochun; Singh, Manjeet; Shi, Huifang; An, Zhongfu; Huang, Wei, Supramolecular organic frameworks with ultralong phosphorescence via breaking π-Conjugated structures. Giant 2020, 1, 100007.

147 Hao, Lina; Wang, Jinpeng; Zhai, Diandian; Ma, Peng; Ma, Congming; Pan, Yong; Jiang, Juncheng, Theoretical Study on CL-20-Based Cocrystal Energetic Compounds in an External Electric Field. ACS Omega 2020, 5 (24), 14767-14775.

146 Luo, Qing; Li, Lin; Ma, Huili; Lv, Chunyan; Jiang, Xueyan; Gu, Xinggui; An, Zhongfu; Zou, Bo; Zhang, Cheng; Zhang, Yujian, Deep-red fluorescence from isolated dimers: a highly bright excimer and imaging in vivo. Chemical Science 2020, 11 (23), 6020-6025.

145 Huang, Ting; Liu, Zaichun; Zhang, Yu; Wang, Faxing; Wen, Juan; Wang, Chengyin; Hossain, Masud; Xie, Qingji; Yao, Shouzhuo; Wu, Yuping, Promoting electrocatalytic nitrogen reduction to ammonia via Fe-boosted nitrogen activation on MnO2 surfaces. Journal of Materials Chemistry A 2020, 8 (27), 13679-13684.

144 Yang, Qiang; Kou, Liangzhi; Hu, Xiaohui; Wang, Yifeng; Lu, Chunhua; Krasheninnikov, Arkady V.; Sun, Litao, Strain robust spin gapless semiconductors/half-metals in transition metal embedded MoSe2 monolayer. Journal of Physics: Condensed Matter 2020, 32 (36), 365305.

143 Zhang, Wenli; Ma, Fangpei; Ma, Long; Zhou, Yu; Wang, Jun, Imidazolium-Functionalized Ionic Hypercrosslinked Porous Polymers for Efficient Synthesis of Cyclic Carbonates from Simulated Flue Gas. 2020, 13 (2), 341-350.

142 Zhou, Musen; Li, Sanmei; Lu, Linghong; Cao, Wei; Wang, Shanshan; Xie, Wenlong, The effect of surface wrinkles on the properties of water in graphene slit pores. Molecular Simulation 2020, 46 (8), 604-615.

141 Dong, Qiubing; Guo, Yanan; Cao, Haifei; Wang, Suna; Matsuda, Ryotaro; Duan, Jingui, Accelerated C2H2/CO2 Separation by a Se-Functionalized Porous Coordination Polymer with Low Binding Energy. ACS Appl. Mater. Interfaces 2020, 12 (3), 3764-3772.

140 Li, Shunchao; Jiang, Huichun; Hua, Min; Pan, Xuhai; Li, Hangchen; Guo, Xinxin; Zhang, Han, Theoretical and experimental studies on the thermal decomposition of 1-butyl-3-methylimidazolium dibutyl phosphate. Journal of Loss Prevention in the Process Industries 2020, 65, 104162.

139 Jiang, Yiming; Hua, Min; Yan, Peng; Zhang, Han; Li, Quanwei; Pan, Xuhai, The transport and diffusion characteristics of superheated fire extinguish agent released via different nozzles in a confined space. Safety Science 2020, 129, 104787.

138 Xu, Xiaodan;  Jiang, J.; Jiang, Yiming; Wang, Zhilei; Wang, Qingyuan; Yan, Weiyang; Pan, Xuhai, Spontaneous ignition of high-pressure hydrogen and boundary layer characteristics in tubes. International Journal of Hydrogen Energy 2020.

137 Wang, Faxing; Tseng, Jochi; Liu, Zaichun; Zhang, Panpan; Wang, Gang; Chen, Guangbo; Wu, Weixing; Yu, Minghao; Wu, Yuping; Feng, Xinliang, A Stimulus-Responsive Zinc–Iodine Battery with Smart Overcharge Self-Protection Function. 2020, 32 (16), 2000287.

136 Zhang, H.; Pan, X.; Hua, M.; Jiang, Y.; Guo, X.; Li, H. In Experimental study on release characteristics of the gas-liquid extinguishing agent in a confined space, 2019 9th International Conference on Fire Science and Fire Protection Engineering (ICFSFPE), 18-20 Oct. 2019; 2019; pp 1-5.

135 Chang, Zheng; Yu, Feng; Liu, Zaichun; Peng, Shou; Guan, Min; Shen, Xiaoxiao; Zhao, Shulin; Liu, Nian; Wu, Yuping; Chen, Yuhui, Co–Ni Alloy Encapsulated by N-doped Graphene as a Cathode Catalyst for Rechargeable Hybrid Li–Air Batteries. ACS Appl. Mater. Interfaces 2020, 12 (4), 4366-4372.

134 Tang, Yunyun; Xue, Lei; Yu, Qing; Chen, Dapeng; Cheng, Zijin; Wang, Wenjun; Shao, Jinjun; Dong, Xiaochen, Smart Aza-BODIPY Photosensitizer for Tumor Microenvironment-Enhanced Cancer Phototherapy. ACS Applied Bio Materials 2019, 2 (12), 5888-5897.

133 Li, Hangchen; Hua, Min; Pan, Xuhai; Li, Shunchao; Guo, Xinxin; Zhang, Han; Jiang, Juncheng, The reaction pathway analysis of phosphoric acid with the active radicals: a new insight of the fire-extinguishing mechanism of ABC dry powder. Journal of Molecular Modeling 2019, 25 (8), 255.

132 Zhu, Wei; Zhang, Cheng; Zhu, Yu-dan; An, Rong; Lu, Xiao-hua; Shi, Yi-jun; Jiang, Sheng-yu, Molecular insights on the microstructures of nanoconfined glycerol and its aqueous solutions: The effects of interfacial properties, temperature, and glycerol concentration. J. Mol. Liq. 2019, 291, 111238.

131 Qin, Yao; Zhao, Nana; Zhu, Yudan; Zhang, Yumeng; Gao, Qingwei; Dai, Zhongyang; You, Yajing; Lu, Xiaohua, Molecular insights into the microstructure of ethanol/water binary mixtures confined within typical 2D nanoslits: The role of the adsorbed layers induced by different solid surfaces. Fluid Phase Equilib. 2020, 509, 112452.

130 Zhao, Nana; Deng, Jiawei; Zhu, Yudan; Chen, Yaojia; Qin, Yao; Ruan, Yang; Zhang, Yumeng; Gao, Qingwei; Lu, Xiaohua, Atomistic insights into the effects of carbonyl oxygens in functionalized graphene nanopores on Ca2+/Na+ sieving. Carbon 2020, 164, 305-316.

129 Zhu, Jiabao; Lu, Linghong; Shi, Lili; Dai, Zhongyang; Zhuang, Wei; Weng, Zhengsong, Electric double-layer of [emim][DCA] ionic liquid at heterogeneous interface of TiO2/C composite: From simulation to experiment. Electrochimica Acta 2020, 341, 135981.

128 Tong, Yujia; Huang, Lukuan; Li, Weixing, CFD simulation of flow field and resistance in a 19-core tandem ceramic membrane module. Chinese Journal of Chemical Engineering 2019.

127 Gao, C. F.; Li, R. P.; Zhong, M. Z.; Wang, R.; Wang, M.; Lin, C. Q.; Huang, L. P.; Cheng, Y. C.; Huang, W., Stability and Phase Transition of Metastable Black Arsenic under High Pressure. J. Phys. Chem. Lett. 2020, 11 (1), 93-98.

126 Li, R. P.; Han, N. N.; Cheng, Y. C.; Huang, W., Pressure-induced metallization of black arsenic. J. Phys.-Condes. Matter 2019, 31 (50), 6.

125 Zhang, Xuyang; Han, Nannan; Lin, Changqing; Wei, Qilin; Zhao, Puqin; Cheng, Yingchun; Huang, Wei, The influence of Ca doping in Bi2O2Se: A first-principles investigation. Computational Materials Science 2020, 179, 109684.

124 Zhu, Ya; Wei, Xiaogang; Song, Yan; Wei, Qilin; Lin, Changqing; Han, Nannan; Mi, Wenbo; Cheng, Yingchun; Huang, Wei, Half-metal to magnetic semiconductor transition in Mn-doped monolayer Bi2O2Se tuned by strain. Journal of Magnetism and Magnetic Materials 2019, 480, 73-78.

123 Wei, Qilin; Li, Ruiping; Lin, Changqing; Han, Ali; Nie, Anmin; Li, Yiran; Li, Lain-Jong; Cheng, Yingchun; Huang, Wei, Quasi-Two-Dimensional Se-Terminated Bismuth Oxychalcogenide (Bi2O2Se). ACS Nano 2019, 13 (11), 13439-13444.

122 Lin, Changqing; Li, Yiran; Wei, Qilin; Shen, Qian; Cheng, Yingchun; Huang, Wei, Enhanced Valley Splitting of Transition-Metal Dichalcogenide by Vacancies in Robust Ferromagnetic Insulating Chromium Trihalides. ACS Appl. Mater. Interfaces 2019, 11 (20), 18858-18864.

121 Wu, Weiwei; Lin, Changqing; Li, Shaowen; Tang, Xiaoyu; Sun, Changchun; Zhao, Wenyu; Liu, Siyuan; Bai, Miao; Cheng, Yingchun; Ma, Yue, Synthesis of 2D Li4Ti5O12 Nanosheets via the “Insertion–Exfoliation–Lithiation” Process. ACS Applied Energy Materials 2019, 2 (10), 7321-7329.

120 Gao, Chaofeng; Li, Ruiping; Li, Yiran; Wang, Rong; Wang, Meng; Gan, Zhixing; Bai, Ligang; Liu, Yucheng; Zhao, Kui; Liu, Shengzhong Frank; Cheng, Yingchun; Huang, Wei, Direct–Indirect Transition of Pressurized Two-Dimensional Halide Perovskite: Role of Benzene Ring Stack Ordering. The Journal of Physical Chemistry Letters 2019, 10 (19), 5687-5693.

119 Yang, Yanqing; Fan, Xiaoxiao; Li, Ling; Yang, Yuming; Nuernisha, Alifu; Xue, Dingwei; He, Chao; Qian, Jun; Hu, Qinglian; Chen, Hao; Liu, Jie; Huang, Wei, Semiconducting Polymer Nanoparticles as Theranostic System for Near-Infrared-II Fluorescence Imaging and Photothermal Therapy under Safe Laser Fluence. ACS Nano 2020, 14 (2), 2509-2521.

118 Ling, Kun; Shi, Huifang; Wang, He; Fu, Lishun; Lv, Anqi; Huang, Kaiwei; Ye, Wenpeng; Gu, Mingxing; Ma, Chaoqun; Yao, Xiaokang; Jia, Wenyong; Zhi, Jiahuan; Yao, Wei; An, Zhongfu; Ma, Huili; Huang, Wei, Controllable Multiemission with Ultralong Organic Phosphorescence in Crystal by Isomerization. 2019, 7 (24), 1901076.

117 Liu, Lei; Wei, Qi; Cheng, Yajuan; Ma, Huili; Xiong, Shiyun; Zhang, Xiaohong, Theoretical studies on full-color thermally activated delayed fluorescence molecules. Journal of Materials Chemistry C 2020, 8 (17), 5839-5846.

116 Xu, Letian; Zhou, Kun; Ma, Huili; Lv, Anqi; Pei, Dandan; Li, Guoping; Zhang, Yanfeng; An, Zhongfu; Li, Ang; He, Gang, Ultralong Organic Phosphorescent Nanocrystals with Long-Lived Triplet Excited States for Afterglow Imaging and Photodynamic Therapy. ACS Appl. Mater. Interfaces 2020, 12 (16), 18385-18394.

115 Shi, Huifang; Song, Lulu; Ma, Huili; Sun, Chen; Huang, Kaiwei; Lv, Anqi; Ye, Wenpeng; Wang, He; Cai, Suzhi; Yao, Wei; Zhang, Yujian; Zheng, Ruilin; An, Zhongfu; Huang, Wei, Highly Efficient Ultralong Organic Phosphorescence through Intramolecular-Space Heavy-Atom Effect. The Journal of Physical Chemistry Letters 2019, 10 (3), 595-600.

114 Li, M. P.; Ling, K.; Shi, H. F.; Gan, N.; Song, L. L.; Cai, S. Z.; Cheng, Z. C.; Gu, L.; Wang, X.; Ma, C. Q.; Gu, M. X.; Wu, Q.; Bian, L. F.; Liu, M. L.; An, Z. F.; Ma, H. L.; Huang, W., Prolonging Ultralong Organic Phosphorescence Lifetime to 2.5 s through Confining Rotation in Molecular Rotor. Adv. Opt. Mater. 2019, 7 (10), 6.

113 Wang, F.; Sun, J.; Liu, M. L.; Shi, H. F.; Ma, H. L.; Ye, W. P.; Wang, H.; Zhang, H. M.; An, Z. F.; Huang, W., D-A-D-type bipolar host materials with room temperature phosphorescence for high-efficiency green phosphorescent organic light-emitting diodes. Journal of Materials Chemistry C 2020, 8 (5), 1871-1878.

112 Gu, Mingxing; Shi, Huifang; Ling, Kun; Lv, Anqi; Huang, Kaiwei; Singh, Manjeet;  Wang, He; Gu, Long; Yao, Wei; An, Zhongfu; Ma, Huili; Huang, Wei, Polymorphism-Dependent Dynamic Ultralong Organic Phosphorescence %J Research. 2020, 2020, 9.

111 Jin, Zhaoyong; Liu, Chuangwei; Liu, Zaichun; Han, Jingrui; Fang, Yanfeng; Han, Yaqian; Niu, Yusheng; Wu, Yuping; Sun, Chenghua; Xu, Yuanhong, Rational Design of Hydroxyl-Rich Ti3C2Tx MXene Quantum Dots for High-Performance Electrochemical N2 Reduction. n/a (n/a), 2000797.

110 Ma, Peng; Liu, Xuqin; Hao, Lina; Zhai, Diandian; Wang, Jinpeng; Ma, Congming; Pan, Yong; Jiang, Juncheng; Zhang, Lin, Pressure induced structural behavior of energetic cocrystal TNT/TNB: a density functional theory study. Journal of Molecular Modeling 2020, 26 (6), 121.

109 Song, Yang; Wei, Mingjie; Xu, Fang; Wang, Yong, Molecular Simulations of Water Transport Resistance in Polyamide RO Membranes: Interfacial and Interior Contributions. Engineering 2020.

108 Zhang, Xin; Wei, Mingjie; Xu, Fang; Wang, Yong, Thickness-dependent ion rejection in nanopores. Journal of Membrane Science 2020, 601, 117899.

107 Pan, Jiawei; Wang, Ling; Chen, Wei; Sang, Shenglong; Sun, Hua; Wu, Bo; Hang, Xiao-Chun; Sun, Zhengyi; Huang, Wei, Non-fullerene small molecule acceptors with three-dimensional thiophene/selenophene-annulated perylene diimides for efficient organic solar cells. Journal of Materials Chemistry C 2020.

106 Sun, H.; Tan, X.; Sang, S. L.; Liu, Q.; Sun, P.; Zhang, J.; Hang, X. C.; Chen, F.; Chen, Z. K., A novel design strategy for deeper blue and more stable thermally activated delayed fluorescent emitters. Org. Electron. 2020, 78, 7.

105 Chen, Wenjin; Tenzer, Robert, Reformulation of Parker-Oldenburg's method for Earth's spherical approximation. Geophysical Journal International 2020.

104 Wang, Xiaoyuan; Liu, Hao; Wang, Yinfeng; Zhu, Yuezhao, CFD simulation of dynamic heat transfer behaviors in super-long thermosyphons for shallow geothermal application. Applied Thermal Engineering 2020, 174, 115295.

103 Wang, Xiaoyuan; Zhu, Yuezhao; Wang, Yinfeng, Development of pressure-based phase change model for CFD modelling of heat pipes. International Journal of Heat and Mass Transfer 2019, 145, 118763.

102 Jiang, D. D.; Fu, M. X.; Zhang, Y. J.; Li, Q. Q.; Guo, K.; Yang, Y. H.; Zhao, L. L., Mechanistic Study of Unprecedented Highly Regioselective Hydrocyanation of Terminal Alkynes: Insight into the Origins of the Regioselectivity and Ligand Effects. J. Comput. Chem. 2020, 41 (4), 279-289.

101 Flosdorf, K.; Jiang, D. D.; Zhao, L. L.; Neumuller, B.; Frenking, G.; Kuzu, I., An Experimental and Theoretical Study of the Structures and Properties of CDPMe-Ni(CO)(3) and Ni-2(CO)(4)(mu(2)-CO)(mu(2)-CDPMe). Eur. J. Inorg. Chem. 2019, 2019 (42), 4546-4554.

100 Kneusels, Nis-Julian H.; Muenzer, Joern E.; Flosdorf, Kimon; Jiang, Dandan; Neumueller, Bernhard; Zhao, Lili; Eichhoefer, Andreas; Frenking, Gernot; Kuzu, Istemi, Double donation in trigonal planar iron-carbodiphosphorane complexes - a concise study on their spectroscopic and electronic properties. Dalton Transactions 2020, 49 (8), 2537-2546.

99 Xu, T. F.; Zhang, M.; Xu, Z. J.; Yang, X. N., Molecular Insight into Water Transport through Heterogeneous GO-based Two-Dimensional Nanocapillary. ACS Appl. Mater. Interfaces 2019, 11 (36), 33409-33418.

98 Zhou, Z. B.; Xu, Z. J.; Yang, X. N., Molecular dynamics simulation of interface-mediated GO-GO interaction at the air-water interface. J. Mol. Liq. 2019, 291, 9.

97 Chen, L. H.; Liu, S. Y.; Xu, Z. J.; Yang, X. N., Electrically Tunable Electron Transfer and Binding Interaction between Hydrated Ions and Graphene Oxide. J. Phys. Chem. Lett. 2019, 10 (19), 5735-5741.

96 Miao, S. S.; Xu, Z. J.; Yang, X. N., DFT study of non-covalent interaction mechanisms of solvents with GO surfaces and the solvent-mediated GO interaction. Applied Surface Science 2020, 499, 10.

95 Zhan, W.; Xu, Z. J.; Yang, X. N., Molecular interlayer intercalation of ethanol-water mixture towards GO laminated membranes. Separation and Purification Technology 2020, 233, 9.

94 Wang, Faxing;  Liu, Zaichun; Yang, Chongqing; Zhong, Haixia; Nam, Gyutae; Zhang, Panpan; Dong, Renhao; Wu, Yuping; Cho, Jaephil; Zhang, Jian; Feng, Xinliang, Fully Conjugated Phthalocyanine Copper Metal-Organic Frameworks for Sodium-Iodine Batteries with Long-Time-Cycling Durability. Advanced materials (Deerfield Beach, Fla.) 2019, e1905361.

93 Qi, Shi-Chao; Yu, Guo-Xing; Xue, Ding-Ming; Liu, Xin; Liu, Xiao-Qin; Sun, Lin-Bing, Rigid supramolecular structures based on flexible covalent bonds: A fabrication mechanism of porous organic polymers and their CO2 capture properties. Chemical Engineering Journal 2020, 385, 123978.

92 Zhai, Diandian; Wang, Jinpeng; Hao, Lina; Ma, Congming; Ma, Peng; Pan, Yong; Jiang, Juncheng, Molecular design and properties of bridged energetic pyridines derivatives. RSC Adv. 2019, 9 (65), 37747-37758.

91 Chen, Xin; Wei, Shuaifei; Wang, Qianqian; Tang, Mingliang; Shen, Xiaodong; Zou, Xin; Shen, Yusheng; Ma, Bing, Morphology prediction of portlandite: Atomistic simulations and experimental research. Applied Surface Science 2020, 502, 144296.

90 Wei, Mingjie; Zhou, Wei; Xu, Fang; Wang, Yong, Nanofluidic Behaviors of Water and Ions in Covalent Triazine Framework (CTF) Multilayers. n/a (n/a), 1903879.

89 Song, Yang; Xu, Fang; Wei, Mingjie; Wang, Yong, Water Flow inside Polamide Reverse Osmosis Membranes: A Non-Equilibrium Molecular Dynamics Study. The Journal of Physical Chemistry B 2017, 121 (7), 1715-1722.

88 Xu, Fang; Wei, Mingjie; Zhang, Xin; Song, Yang; Zhou, Wei; Wang, Yong, How Pore Hydrophilicity Influences Water Permeability? %J Research. 2019, 2019, 10.

87 Song, Yang; Wei, Mingjie; Xu, Fang; Wang, Yong, Transport Mechanism of Water Molecules Passing through Polyamide/COF Mixed Matrix Membranes. Physical Chemistry Chemical Physics 2019.

86 Xu, Fang; Wei, Mingjie; Zhang, Xin; Wang, Yong, Ion Rejection in Covalent Organic Frameworks: Revealing the Overlooked Effect of In-Pore Transport. ACS Appl. Mater. Interfaces 2019.

85 Wang, Xuan; Gan, Nan; Gu, Mingxing; Ling, Kun; Ma, Chaoqun; Ma, Huili; Yao, Wei; Zhang, Yujian; Shi, Huifang; An, Zhongfu; Huang, Wei, Subtle structure tailoring of metal-free triazine luminogens for highly efficient ultralong organic phosphorescence. Chinese Chemical Letters 2019, 30 (11), 1935-1938.

84 Ma, Huili; Shen, Kang; Wu, Yipei; Xia, Fang; Yu, Feiling; Sun, Zhengyi; Qian, Chunyue; Peng, Qiming; Zhang, Hong-Hai; You, Cong; Xie, Guohua; Hang, Xiao-Chun; Huang, Wei, High-color-purity and efficient solution-processable blue phosphorescent light-emitting diodes with Pt(ii) complexes featuring 3ππ* transitions. Materials Chemistry Frontiers 2019, 3 (11), 2448-2454.

83 Ma, Huili; Yu, Hongde; Peng, Qian; An, Zhongfu; Wang, Dong; Shuai, Zhigang, Hydrogen Bonding-Induced Morphology Dependence of Long-Lived Organic Room-Temperature Phosphorescence: A Computational Study. The Journal of Physical Chemistry Letters 2019, 6948-6954.

82 Gan, N.; Wang, X.; Ma, H. L.; Lv, A. Q.; Wang, H.; Wang, Q.; Gu, M. X.; Cai, S. Z.; Zhang, Y. Y.; Fu, L. S.; Zhang, M.; Dong, C. M.; Yao, W.; Shi, H. F.; An, Z. F.; Huang, W., Manipulating the Stacking of Triplet Chromophores in the Crystal Form for Ultralong Organic Phosphorescence. Angew. Chem.-Int. Edit., 7.

81 Cai, S. Z.; Ma, H. L.; Shi, H. F.; Wang, H.; Wang, X.; Xiao, L. X.; Ye, W. P.; Huang, K. W.; Cao, X. D.; Gan, N.; Ma, C. Q.; Gu, M. X.; Song, L. L.; Xu, H.; Tao, Y. T.; Zhang, C. F.; Yao, W.; An, Z. F.; Huang, W., Enabling long-lived organic room temperature phosphorescence in polymers by subunit interlocking. Nat. Commun. 2019, 10, 8.

80 Li, Z. N.; Wang, J. G.; Huang, H. Y.; Liu, Y.; Yun, Y. K.; Cheng, Z. C.; Liu, S. L.; Ding, Z. C.; Zhao, B. M.; Huang, W., A fully fused non-fullerene acceptor containing angular-shaped S,N-heteroacene and perylene diimide for additive-free organic solar cells. New J. Chem. 2019, 43 (35), 13775-13782.

79 Xu, F.; Song, Y.; Wei, M. J.; Wang, Y., Water Flow through Interlayer Channels of Two-Dimensional Materials with Various Hydrophilicities. J. Phys. Chem. C 2018, 122 (27), 15772-15779.

78 Zhou, W.; Wei, M. J.; Zhang, X.; Xu, F.; Wang, Y., Fast Desalination by Multilayered Covalent Organic Framework (COF) Nanosheets. ACS Appl. Mater. Interfaces 2019, 11 (18), 16847-16854.

77 Wu, Yipei; Tan, Xiao; Lv, Anqi; Yu, Feiling; Ma, Huili; Shen, Kang; Sun, Zhengyi; Chen, Fei; Chen, Zhi-Kuan; Hang, Xiao-Chun, Triplet Excited-State Engineering of Phosphorescent Pt(II) Complexes. The journal of physical chemistry letters 2019, 5105-5110.

76 Sha, F.; Zheng, Y. C.; Chen, J.; Chen, K. Q.; Cao, F.; Yan, M.; Ouyang, P. K., D-Tagatose manufacture through bio-oxidation of galactitol derived from waste xylose mother liquor. Green Chem. 2018, 20 (10), 2382-2391.

75 Dai, Z. Y.; You, Y. J.; Zhu, Y. D.; Wang, S. S.; Zhu, W.; Lu, X. H., Atomistic Insights into the Layered Microstructure and Time Dependent Stability of BMIM PF6 Confined within the Meso-Slit of Carbon. J. Phys. Chem. B 2019, 123 (31), 6857-6869.

74 Zhang, Y. M.; Zhu, W.; Li, J. H.; Zhu, Y. D.; Wang, A. R.; Lu, X. H.; Li, W.; Shi, Y. J., Effects of ionic hydration and hydrogen bonding on flow resistance of ionic aqueous solutions confined in molybdenum disulfide nanoslits: Insights from molecular dynamics simulations. Fluid Phase Equilib. 2019, 489, 23-29.

73 Zhang, Y. M.; Zhu, Y. D.; Wang, A. R.; Gao, Q. W.; Qin, Y.; Chen, Y. J.; Lu, X. H., Progress in molecular-simulation-based research on the effects of interface-induced fluid microstructures on flow resistance. Chinese Journal of Chemical Engineering 2019, 27 (6), 1403-1415.

72 Chen, Y. J.; Zhu, Y. D.; Ruan, Y.; Zhao, N. N.; Liu, W.; Zhuang, W.; Lu, X. H., Molecular insights into multilayer 18-crown-6-like graphene nanopores for K+/Na+ separation: A molecular dynamics study. Carbon 2019, 144, 32-42.

71 Yuan, R. F.; Zhu, Y. D.; Zhou, B. H.; Hu, J. Y., Photocatalytic oxidation of sulfamethoxazole in the presence of TiO2: Effect of matrix in aqueous solution on decomposition mechanisms. Chemical Engineering Journal 2019, 359, 1527-1536.

70 Ma, Peng; Wang, Jinpeng; Zhai, Diandian; Hao, Lina; Ma, Congming; Pan, Yong; Jiang, Juncheng; Zhu, Shunguan, Structural transformation and absorption properties of 2,4,6-Trinitro-2,4,6-triazacyclohexanone under high pressures. Journal of Molecular Structure 2019, 1196, 691-698.

69 Ai, W.; Kou, L. Z.; Hu, X. H.; Wang, Y. F.; Krasheninnikov, A. V.; Sun, L. T.; Shen, X. D., Enhanced sensitivity of MoSe2 monolayer for gas adsorption induced by electric field. J. Phys.-Condes. Matter 2019, 31 (44), 8.

68 Wang, Xuan; Ma, Huili; Gu, Mingxing; Lin, Changqing; Gan, Nan; Xie, Zongliang; Wang, He; Bian, Lifang; Fu, Lishun; Cai, Suzhi; Chi, Zhenguo; Yao, Wei; An, Zhongfu; Shi, Huifang; Huang, Wei, Multicolor Ultralong Organic Phosphorescence through Alkyl Engineering for 4D Coding Applications. Chemistry of Materials 2019, 31 (15), 5584-5591.

67 Qi, S. C.; Wu, J. K.; Lu, J.; Yu, G. X.; Zhu, R. R.; Liu, Y.; Liu, X. Q.; Sun, L. B., Underlying mechanism of CO2 adsorption onto conjugated azacyclo-copolymers: N-doped adsorbents capture CO2 chiefly through acid-base interaction? Journal of Materials Chemistry A 2019, 7 (30), 17842-17853.

66 Hu, W. Y.; Zhang, C.; Huang, J.; Guo, Y. Y.; Fu, Z. Q.; Huang, W., Access to Highly Functionalized Indanes from Arynes and alpha,gamma-Diketo Esters. Org. Lett. 2019, 21 (4), 941-945.

65 Qi, Shi-Chao; Qian, Xin-Yu; He, Qiu-Xia; Miao, Kang-Jing; Jiang, Yao; Tan, Peng; Liu, Xiao-Qin; Sun, Lin-Bing, Generation of Hierarchical Porosity in Metal–Organic Frameworks by the Modulation of Cation Valence. 0 (0).

64 Li, Wei; Zou, Juan; Zhu, Shiyu; Mao, Xianxian; Tian, Hongyan; Wang, Xiaojian, Fluorodibenzocyclooctynes: A Trackable Click Reagent with Enhanced Reactivity. 0 (0).

63 Li, Peipei; Liu, Zaichun; Wu, Tongwei; Zhang, Ya; Wang, Linyu; Wang, Li; Ji, Lei; Zhang, Youyu; Luo, Yonglan; Wang, Ting; Liu, Shanhu; Wu, Yuping; Liu, Meiling; Sun, Xuping, Ambient electrocatalytic N2 reduction to NH3 by metal fluoride. Journal of Materials Chemistry A 2019.

62 Tao, Hanzhong; Rui, Lei; Li, Wei; Cheng, Jianjie, Numerical study on effect of oscillation center position on heat transfer and flow internal tube. International Journal of Heat and Mass Transfer 2019, 137, 799-808.

61 Xue, Ding-Ming; Qi, Shi-Chao; Zeng, Qiong-Zhen; Lu, Ren-Jie; Long, Jiang-Hai; Luo, Cong; Liu, Xiao-Qin; Sun, Lin-Bing, Fabrication of nitrogen-doped porous carbons derived from ammoniated copolymer precursor: Record-high adsorption capacity for indole. Chemical Engineering Journal 2019, 374, 1005-1012.

60 Tian, Shuai; Ma, Huili; Wang, Xuan; Lv, Anqi; Shi, Huifang; Geng, Yun; Li, Jie; Liang, Fushun; Su, Zhong-Min; An, Zhongfu; Huang, Wei, Utilizing d–pπ Bonds for Ultralong Organic Phosphorescence. 2019, 58 (20), 6645-6649.

59 Xu, Ling-Yu; Zhang, Jing-Zhe; Cai, Fei; Chen, Wei-Yun; Xue, Ying-Ying, Constitutive modeling the undrained behaviors of sands with non-plastic fines under monotonic and cyclic loading. Soil Dynamics and Earthquake Engineering 2019, 123, 413-424.

58 Jiang, D. D.; Li, Q. Q.; Fu, M. X.; Zhao, X. F.; Meng, Q. Y.; Zhao, L. L., Mechanistic insight into the highly regioselective Ni(0)-catalyzed 2+2 self-cycloaddition of electron-deficient allenoates. Catal. Sci. Technol. 2019, 9 (5), 1273-1278.

57 Wang, Q.; Fu, M. X.; Li, X. J.; Huang, R. F.; Glaser, R. E.; Zhao, L. L., Aluminum alkoxy-catalyzed biomass conversion of glucose to 5-hydroxymethylfurfural: Mechanistic study of the cooperative bifunctional catalysis. J. Comput. Chem. 2019, 40 (16), 1599-1608.

56 Chen, Lili; Gu, Boqin; Zhou, Jianfeng, Development of the RSA method for random short fiber reinforced elastomer composites with large fiber aspect ratios. Materials Research Express 2019, 6 (6), 065322.

55 Chen, Lili; Gu, Boqin; Tao, Jiahui; Zhou, Jianfeng, The average response and isotropy of 3D representative volume elements for random distributed short fibers reinforced elastomer. Composite Structures 2019, 216, 279-289.

54 Wang, Q.; Lu, X. F.;  Zhen, Y. Z.; Li, W. Q.; Chen, G. H.; Yang, Y. H., Structure, stability, electronic, magnetic, and catalytic properties of monometallic Pd-Au, and bimetallic Pd Au core-shell nanoparticles. J. Chem. Phys. 2018, 149 (24), 8.

53 Gu, Long; Shi, Huifang; Bian, Lifang; Gu, Mingxing; Ling, Kun; Wang, Xuan; Ma, Huili; Cai, Suzhi; Ning, Weihua; Fu, Lishun; Wang, He; Wang, Shan; Gao, Yaru; Yao, Wei; Huo, Fengwei; Tao, Youtian; An, Zhongfu; Liu, Xiaogang; Huang, Wei, Colour-tunable ultra-long organic phosphorescence of a single-component molecular crystal. Nature Photonics 2019.

52 Fang, Yanfeng; Liu, Zaichun; Han, Jingrui; Jin, Zhaoyong; Han, Yaqian; Wang, Faxing; Niu, Yusheng; Wu, Yuping; Xu, Yuanhong, High-Performance Electrocatalytic Conversion of N2 to NH3 Using Oxygen-Vacancy-Rich TiO2 In Situ Grown on Ti3C2Tx MXene. Advanced Energy Materials 2019, 0 (0), 1803406.

51 Lv, Anqi; Ye, Wenpeng; Jiang, Xueyan; Gan, Nan; Shi, Huifang; Yao, Wei; Ma, Huili; An, Zhongfu; Huang, Wei, Room-Temperature Phosphorescence from Metal-Free Organic Materials in Solution: Origin and Molecular Design. The Journal of Physical Chemistry Letters 2019, 1037-1042.

50 Su, W.; Pan, S.; Sun, X.; Wang, S.; Zhao, L. L.; Frenking, G.; Zhu, C. Q., Double dative bond between divalent carbon(O) and uranium. Nat. Commun. 2018, 9, 8.

49 Wang, T. H.; Ambre, R.; Wang, Q.; Lee, W. C.; Wang, P. C.; Liu, Y. H.; Zhao, L. L.; Ong, T. G., Nickel-Catalyzed Heteroarenes Cross Coupling via Tandem C-H/C-O Activation. ACS Catal. 2018, 8 (12), 11368-11376.

48 Jin, Jiaye; Pan, Sudip; Jin, Xiaoyang; Lei, Shujun; Zhao, Lili; Frenking, Gernot; Zhou, Mingfei, Octacarbonyl Anion Complexes of the Late Lanthanides Ln(CO)8- (Ln=Tm, Yb, Lu) and the 32-Electron Rule. Chemistry (Weinheim an der Bergstrasse, Germany) 2018.

47 Chi, Chaoxian; Pan, Sudip; Meng, Luyan; Luo, Mingbiao; Zhao, Lili; Zhou, Mingfei; Frenking, Gernot, Alkali Metal Covalent Bonding in Nickel Carbonyl Complexes ENi(CO)3. Angewandte Chemie (International ed. in English) 2019, 58 (6), 1732-1738.

46 Siddiqui, M. M.; Sarkar, S. K.; Sinhababu, S.; Ruth, P. N.; Herbst-Irmer, R.; Stalke, D.; Ghosh, M.; Fu, M. X.; Zhao, L. L.; Casanova, D.; Frenking, G.; Schwederski, B.; Kaim, W.; Roesky, H. W., Isolation of Transient Acyclic Germanium(I) Radicals Stabilized by Cyclic Alkyl(amino) Carbenes. Journal of the American Chemical Society 2019, 141 (5), 1908-1912.

45 Qu, Ge; Fu, Mingxing; Zhao, Lili; Liu, Beibei; Liu, Pi; Fan, Wenchao; Ma, Jun-An; Sun, Zhoutong, Computational Insights into the Catalytic Mechanism of Bacterial Carboxylic Acid Reductase. Journal of Chemical Information and Modeling 2019.

44 Jiang, Q. W.; Guo, Y. N.; Xu, Z. J.; Yang, X. N., DFT Insights into the Interfacial Chemical Behavior of Hybrid LDH/GO Nanocomposites. J. Phys. Chem. C 2019, 123 (3), 1692-1699.

43 Ma, Huili; Peng, Qian; An, Zhongfu; Huang, Wei; Shuai, Zhigang, Efficient and Long-Lived Room-Temperature Organic Phosphorescence: Theoretical Descriptors for Molecular Designs. Journal of the American Chemical Society 2019, 141 (2), 1010-1015.

42 Li, Xiaoli; Jiang, Hong; Hou, Miaomiao; Liu, Yefei; Xing, Weihong; Chen, Rizhi, Enhanced phenol hydrogenation for cyclohexanone production by membrane dispersion. Chemical Engineering Journal 2019.

41 Qi, Shi-Chao; Liu, Yu; Peng, An-Zhong; Xue, Ding-Ming; Liu, Xin; Liu, Xiao-Qin; Sun, Lin-Bing, Fabrication of porous carbons from mesitylene for highly efficient CO2 capture: A rational choice improving the carbon loop. Chemical Engineering Journal 2019, 361, 945-952.

40 Wang, Jiacheng; Gao, Xuechao; Ji, Guozhao; Gu, Xuehong, CFD simulation of hollow fiber supported NaA zeolite membrane modules. Separation and Purification Technology 2019, 213, 1-10.

39 Xu, Bo; Liu, Zaichun; Qiu, Weibin; Liu, Qian; Sun, Xuping; Cui, Guanwei; Wu, Yuping; Xiong, Xiaoli, La2O3 nanoplate: An efficient electrocatalyst for artificial N2 fixation to NH3 with excellent selectivity at ambient condition. Electrochimica Acta 2019, 298, 106-111.

38 Xiao, Ting; Wang, Fang; Chen, Yahui; Yang, Xiao; Wei, Tingwen; Liu, Chuantao; Chen, Shuangjun; Xu, Zhijun; Yoon, Juyoung; Chen, Xiaoqiang, Pyrene-based bisboronic sensors for multichannel enantioselective recognition of tartaric acid. Dyes and Pigments 2019, 163, 227-231.

37 Li, Jinghua; Liu, Zaichun; Zhang, Qiaobao; Cheng, Yong; Zhao, Bote; Dai, Shuge; Wu, Hong-Hui; Zhang, Kaili; Ding, Dong; Wu, Yuping; Liu, Meilin; Wang, Ming-Sheng, Anion and Cation Substitution in Transition-metal Oxides Nanosheets for High-performance Hybrid Supercapacitors. Nano Energy 2018.

36 Bian, Lifang; Shi, Huifang; Wang, Xuan; Ling, Kun; Ma, Huili; Li, Mengping; Cheng, Zhichao; Ma, Chaoqun; Cai, Suzhi; Wu, Qi; Gan, Nan; Xu, Xiangfei; An, Zhongfu; Huang, Wei, Simultaneously Enhancing Efficiency and Lifetime of Ultralong Organic Phosphorescence Materials by Molecular Self-Assembly. Journal of the American Chemical Society 2018, 140 (34), 10734-10739.

35 Jana, Gourhari; Pan, Sudip; Osorio, Edison; Zhao, Lili; Merino, Gabriel; Chattaraj, Pratim K., Cyanide–isocyanide isomerization: stability and bonding in noble gas inserted metal cyanides (metal = Cu, Ag, Au). Physical Chemistry Chemical Physics 2018, 20 (27), 18491-18502.

34 Pan, Sudip; Cabellos, José Luis; Orozco-Ic, Mesías; Chattaraj, Pratim K.; Zhao, Lili; Merino, Gabriel, Planar pentacoordinate carbon in CGa5+ derivatives. Physical Chemistry Chemical Physics 2018, 20 (18), 12350-12355.

33 Pan, S.; Kar, S.; Saha, R.;  Osorio, E.; Zarate, X.; Zhao, L. L.; Merino, G.; Chattaraj, P. K., Boron Nanowheels with Axles Containing Noble Gas Atoms: Viable Noble Gas Bound M (c) B-10(-) Clusters (M=Nb, Ta). Chem.-Eur. J. 2018, 24 (14), 3590-3598.

32 Li, W. L.; Lu, J. B.; Zhao, L. L.; Ponec, R.; Cooper, D. L.; Li, J.; Frenking, G., Electronic Structure and Bonding Situation in M2O2 (M = Be, Mg, Ca) Rhombic Clusters. J. Phys. Chem. A 2018, 122 (10), 2816-2822.

31 Wu, X.; Zhao, L. L.; Jiang, D. D.; Fernandez, I.; Berger, R.; Zhou, M. F.; Frenking, G., Barium as Honorary Transition Metal in Action: Experimental and Theoretical Study of Ba(CO)(+) and Ba(CO)(-). Angew. Chem.-Int. Edit. 2018, 57 (15), 3974-3980.

30 Pan, S.; Zhao, L. L.; Dias, H. V. R.; Frenking, G., Bonding in Binuclear Carbonyl Complexes M-2(CO)(9) (M = Fe, Ru, Os). Inorg. Chem. 2018, 57 (13), 7780-7791.

29 Wu, X.; Zhao, L. L.; Jin, J. Y.; Pan, S.; Li, W.; Jin, X. Y.; Wang, G. J.; Zhou, M. F.; Frenking, G., Observation of alkaline earth complexes M(CO)(8) (M = Ca, Sr, or Ba) that mimic transition metals. Science 2018, 361 (6405), 912-+.

28 Ni, Yuqing; Pan, Yong; Zhang, Jiandu; Gu, Xiaochen; Pan, Xuhai; Jiang, Juncheng; Wang, Qingsheng, Theoretical study on reaction mechanism of thermal decomposition of dialkyl peroxides. Computational and Theoretical Chemistry 2018, 1135, 11-17.

27 Ma, Chaoqun; Ma, Huili; Ling, Kun; Zheng, Ruilin; Gu, Mingxing; Song, Lulu; An, Zhongfu; Shi, Huifang; Huang, Wei, Insight into chirality on molecular stacking for tunable ultralong organic phosphorescence. Journal of Materials Chemistry C 2018, 6 (38), 10179-10183.

26 Wu, Q.; Ma, H. L.; Ling, K.; Gan, N.; Cheng, Z. C.; Gu, L.; Cai, S. Z.; An, Z. F.; Shi, H. F.; Huang, W., Reversible Ultralong Organic Phosphorescence for Visual and Selective Chloroform Detection. ACS Appl. Mater. Interfaces 2018, 10 (39), 33730-33736.

25 Ma, Peng; Pan, Yong; Jiang, Jun-cheng; Zhu, Shun-guan, Molecular Dynamic Simulation and Density Functional Theory Insight into the Nitrogen Rich explosive 1,5-diaminotetrazole(DAT). Procedia Engineering 2018, 211, 546-554.

24 Yang, Lei; Mao, Jie; Yin, Cheng-Zhu; Wu, Xiang-Ping; Liu, Yu-Yu; Xie, Ling-Hai; Ran, Xue-Qin; Huang, Wei, Theoretical studies on 4H-cyclopenta[2,1-b:3,4-b′]dithiophene-based Windmill-shaped nanogrids with low reorganization energies. Chemical Physics 2019, 516, 191-198.

23 刘甜, 黎军, 刘维佳,朱育丹,陆小华, 简单的配体改变调控钌配合物催化还原CO₂的活性：硼基配体的对位效应和Ru―H键的性质. 2018, 34 (10), 1097-1105.

22 Li, Jiahui; Zhu, Yudan; Zhang, Yumeng; Gao, Qingwei; Zhu, Wei; Lu, Xiaohua; Shi, Yijun, Extra low friction coefficient caused by the formation of a solid-like layer: A new lubrication mechanism found through molecular simulation of the lubrication of MoS2 nanoslits. Chinese Journal of Chemical Engineering 2018.

21 An, Rong; Zhou, Guobing; Zhu, Yudan; Zhu, Wei; Huang, Liangliang; Shah, Faiz Ullah, Friction of Ionic Liquid-Glycol Ether Mixtures at Titanium Interfaces: Negative Load Dependence. Advanced Materials Interfaces 2018, 5 (14).

20 Yang, Y. T.; Wang, K.; Li, G. Q.; Ran, X. Q.; Song, X.; Gasparini, N.; Zhang, Q. Q.; Lai, X.; Guo, X.; Meng, F.; Du, M. Z.; Huang, W.; Baran, D., Fluorination Triggered New Small Molecule Donor Materials for Efficient As-Cast Organic Solar Cells. Small 2018, 14 (34), 8.

19 Wang, J. Q.; Zhao, Z.; Li, Z. P.; Mao, J. P.; Zhang, W. H.; Guo, C., Multicomponent domino synthesis of 2-(tert-butyl)-4H-pyran-3-carbonitriles and their photophysical properties. Chem. Heterocycl. Compds. 2018, 54 (1), 25-31.

18 Gao, Q. W.; Zhu, Y. D.; Ji, X. Y.; Zhu, W.; Lu, L. H.; Lu, X. H., Effect of water concentration on the microstructures of choline chloride/urea (1:2)/water mixture. Fluid Phase Equilib. 2018, 470, 134-139.

17 Jin, Y. Z.; Xu, Z. J.; Guo, Y. A.; Yang, X. N., Molecular-Level Recognition of Interaction Mechanism between Graphene Oxides in Solvent Media. J. Phys. Chem. C 2018, 122 (7), 4063-4072.

16 Zhang, X.; Liu, S. Y.; Liu, H.; Zhang, J. W.; Yang, X. N., Molecular dynamics simulation of the mechanical properties of multilayer graphene oxide nanosheets (vol 7, pg 55005, 2017). RSC Adv. 2018, 8 (40), 22785-22785.

15 Chen, Luohao; Guo, Yanan; Xu, Zhijun; Yang, Xiaoning, Multiscale Simulation of the Interaction and Adsorption of Ions on a Hydrophobic Graphene Surface. Chemphyschem : a European journal of chemical physics and physical chemistry 2018.

14 Zhang, X.; Zhou, W.; Xu, F.; Wei, M. J.; Wang, Y., Resistance of water transport in carbon nanotube membranes. Nanoscale 2018, 10 (27), 13242-13249.

13 Chen, G.; Guo, Y. A.; Miao, S. S.; Sun, H. N.; Gu, B. B.; Li, W. H.; Zhong, Y. J.; Zhou, W.; Shao, Z. P., Constructing self-standing and non-precious metal heterogeneous nanowire arrays as high-performance oxygen evolution electrocatalysts: Beyond the electronegativity effect of the substrate. J. Power Sources 2018, 396, 421-428.

12 Yu, J.; Guo, Y. A.; Miao, S. S.; Ni, M.; Zhou, W.; Shao, Z. P., Spherical Ruthenium Disulfide-Sulfur-Doped Graphene Composite as an Efficient Hydrogen Evolution Electrocatalyst. ACS Appl. Mater. Interfaces 2018, 10 (40), 34098-34107.

11 Wei, Q. C.; Zhao, W. L.; Yang, Y.; Cui, B. L.; Xu, Z. J.; Yang, X. N., Method Evaluations for Adsorption Free Energy Calculations at the Solid/Water Interface through Metadynamics, Umbrella Sampling, and Jarzynski's Equality. ChemPhysChem 2018, 19 (6), 690-702.

10 Xu, Z. J.; Wei, Q. C.; Zhao, W. L.; Cui, Q.; Sahai, N., Essence of Small Molecule-Mediated Control of Hydroxyapatite Growth: Free Energy Calculations of Amino Acid Side Chain Analogues. J. Phys. Chem. C 2018, 122 (8), 4372-4380.

9 Xu, Z. J.; Yang, X.; Wei, Q. C.; Zhao, W. L.; Cui, B. L.; Yang, X. N.; Sahai, N., Quantitatively Identifying the Roles of Interfacial Water and Solid Surface in Governing Peptide Adsorption. Langmuir 2018, 34 (26), 7932-7941.

8 Wang, X. S.; Wang, Z. W.; Zhang, J. D.; Wang, X.; Zhang, Z. P.; Wang, J. L.; Zhu, Z. H.; Li, Z. Y.; Liu, Y.; Hu, X. F.; Qiu, J. W.; Hu, G. H.; Chen, B.; Wang, N.; He, Q. Y.; Chen, J. Z.; Yan, J. X.; Zhang, W.; Hasan, T.; Li, S. Z.; Li, H.; Zhang, H.; Wang, Q.; Huang, X.; Huang, W., Realization of vertical metal semiconductor heterostructures via solution phase epitaxy. Nat. Commun. 2018, 9, 11.

7 Yu, F.; Liu, Z. C.; Zhou, R. W.; Tan, D. M.; Wang, H. X.; Wang, F. X., Pseudocapacitance contribution in boron-doped graphite sheets for anion storage enables high-performance sodium-ion capacitors. Mater. Horizons 2018, 5 (3), 529-535.

6 Wang, C.; Wang, F. X.; Liu, Z. C.; Zhao, Y. J.; Liu, Y.; Yue, Q.; Zhu, H. W.; Deng, Y. H.; Wu, Y. P.; Zhao, D. Y., N-doped carbon hollow microspheres for metal-free quasi-solid-state full sodium-ion capacitors. Nano Energy 2017, 41, 674-680.

5 Zhang, P. P.; Zhao, X. N.; Liu, Z. C.; Wang, F. X.; Huang, Y.; Li, H. Y.; Li, Y.; Wang, J. H.; Su, Z. Q.; Wei, G.; Zhu, Y. S.; Fu, L. J.; Wu, Y. P.; Huang, W., Exposed high-energy facets in ultradispersed sub-10 nm SnO2 nanocrystals anchored on graphene for pseudocapacitive sodium storage and high-performance quasi-solid-state sodium-ion capacitors. NPG Asia Mater. 2018, 10, 429-440.

4 Huang, T.; Liu, Z. C.; Li, Y. L.; Li, Y. Q.; Chao, L.; Chen, C.; Tan, Y. M.; Xie, Q. J.; Yao, S. Z.; Wu, Y. P., Oxidative polymerization of 5-hydroxytryptamine to physically and chemically immobilize glucose oxidase for electrochemical biosensing. Anal. Chim. Acta 2018, 1013, 26-35.

3 Han, J. R.; Liu, Z. C.; Ma, Y. J.; Cui, G. W.; Xie, F. Y.; Wang, F. X.; Wu, Y. P.; Gao, S. Y.; Xu, Y. H.; Sun, X. P., Ambient N-2 fixation to NH3 at ambient conditions: Using Nb2O5 nanofiber as a high-performance electrocatalyst. Nano Energy 2018, 52, 264-270.

2 Zhu, X. J.; Liu, Z. C.; Liu, Q.; Luo, Y. L.; Shi, X. F.; Asiri, A. M.; Wu, Y. P.; Sun, X. P., Efficient and durable N-2 reduction electrocatalysis under ambient conditions: beta-FeOOH nanorods as a non-noble-metal catalyst. Chem. Commun. 2018, 54 (80), 11332-11335.

1 Li, T. L.; Liu, Z. C.; Zhu, L.; Dai, F.; Hu, L.; Zhang, L.; Wen, Z. B.; Wu, Y. P., Cr2O3 nanoparticles: a fascinating electrode material combining both surface-controlled and diffusion-limited redox reactions for aqueous supercapacitors. J. Mater. Sci. 2018, 53 (24), 16458-16465.