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Multiscale investigation of magnetic field distortion on surface of ferromagnetic materials caused by stress concentration for metal magnetic memory method Journal article
Computational Materials Science, 2022,Volume: 209
Authors:  Qiu, Guotao;  Cai, Yongqing;  Li, Zongjin
Favorite |  | TC[WOS]:0 TC[Scopus]:0 | Submit date：2022/05/13
Finite Element Method  First-principles calculation  Metal Magnetic Memory  Micromagnetics  Multiscale Modeling  
Two-Dimensional Dirac Nodal Line Carbon Nitride to Anchor Single-Atom Catalyst for Oxygen Reduction Reaction Journal article
ChemSusChem, 2022,Volume: 15,Issue: 6
Authors:  Li, Feifei;  Ai, Haoqiang;  Shen, Shiying;  Geng, Jiazhong;  Ho Lo, Kin;  Pan, Hui
Favorite |  | TC[WOS]:0 TC[Scopus]:0 | Submit date：2022/04/06
Carbon Nitride  Density Functional Calculations  Electrocatalysis  Oxygen Reduction Reaction  Semimetals  
Cobalt Single Atom Incorporated in Ruthenium Oxide Sphere: A Robust Bifunctional Electrocatalyst for HER and OER Journal article
Angewandte Chemie - International Edition, 2022,Volume: 61,Issue: 4
Authors:  Shah, Khadim;  Dai, Ruoyun;  Mateen, Muhammad;  Hassan, Zubair;  Zhuang, Zewen;  Liu, Chuhao;  Israr, Muhammad;  Cheong, Weng Chon;  Hu, Botao;  Tu, Renyong;  Zhang, Chao;  Chen, Xin;  Peng, Qing;  Chen, Chen;  Li, Yadong
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The role of hydrogen-bond in solubilizing drugs by ionic liquids: A molecular dynamics and density functional theory study Journal article
AIChE Journal, 2022
Authors:  Huang, Yiping;  Ouyang, Defang;  Ji, Yuanhui
Favorite |  | TC[WOS]:0 TC[Scopus]:0 | Submit date：2022/05/17
aspirin  DFT calculations  etomidate  hydrogen-bond basicity and acidity  ionic liquids  molecular dynamics simulation  solvation mechanism  
Phytic acid-induced nitrogen configuration adjustment of active nitrogen-rich carbon nanosheets for high-performance potassium-ion storage Journal article
Journal of Materials Chemistry A, 2021,Volume: 9,Issue: 45,Page: 25445-25452
Authors:  Ma, Liang;  Li, Zhibin;  Li, Jinliang;  Dai, Yao;  Qian, Chen;  Zhu, Yaofeng;  Wang, Hao;  Hui, Kwun Nam;  Pan, Likun;  Amin, Mohammed A.;  Yamauchi, Yusuke;  Mai, Wenjie
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Rationally engineered Co and N co-doped WS2 as bifunctional catalysts for pH-universal hydrogen evolution and oxidative dehydrogenation reactions Journal article
Nano Research, 2021,Volume: 15,Issue: 3,Page: 1993-2002
Authors:  Ling, Min;  Li, Na;  Jiang, Binbin;  Tu, Renyong;  Wu, Tao;  Guan, Pingli;  Ye, Yin;  Cheong, Weng Chon;  Sun, Kaian;  Liu, Shoujie;  Wu, Konglin;  Huang, Aijian;  Wei, Xianwen
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Bifunctional Catalyst  Density Functional Theory (Dft) Calculation  Electrolysis Of Water  Heteroatomic Doping  Ws2  
Regulating the electronic structure of NiFe layered double hydroxide/reduced graphene oxide by Mn incorporation for high-efficiency oxygen evolution reaction Mn调控NiFe LDH/rGO Journal article
Science China Materials, 2021,Volume: 64,Issue: 11,Page: 2729-2738
Authors:  Jiang, Binbin;  Cheong, Weng Chon;  Tu, Renyong;  Sun, Kaian;  Liu, Shoujie;  Wu, Konglin;  Shang, Hengshuai;  Huang, Aijian;  Wang, Miao;  Zheng, Lirong;  Wei, Xianwen;  Chen, Chen
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Dft Calculations  Electrocatalysts  Mn  Nife Layered Double Hydroxides  Oxygen Evolution Reaction  
Studies of cyanomethylcarbamoyl-bridged anthracene and pyrene fluorophores Journal article
New Journal of Chemistry, 2021,Volume: 45,Issue: 37,Page: 17366-17376
Authors:  Younes, Eyad A.;  Issa, Maram J.;  Abdollahi, Maryam F.;  Ding, Yuan Fu;  Rasras, Anas J.;  Mok, Greta S.P.;  Lin, Jian Bin;  Zhao, Yuming
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CNSi/MXene/CNSi: Unique Structure with Specific Electronic Properties for Nanodevices Journal article
Small, 2021
Authors:  Bai, Haoyun;  Ai, Haoqiang;  Li, Bowen;  Liu, Dong;  Lo, Kin Ho;  Ng, Kar Wei;  Shi, Xingqiang;  Kawazoe, Yoshiyuki;  Pan, Hui
Favorite |  | TC[WOS]:0 TC[Scopus]:0 | Submit date：2021/09/10
2d Devices  Dft Calculations  Mxenes  
Unravelling the Reaction Mechanisms of N2 Fixation on Molybdenum Nitride: A Full DFT Study from the Pristine Surface to Heteroatom Anchoring Journal article
ChemSusChem, 2021,Volume: 14,Issue: 16,Page: 3257-3266
Authors:  Kong, Youchao;  He, Tianwei;  Puente Santiago, Alain R.;  Liu, Dong;  Du, Aijun;  Wang, Shuangpeng;  Pan, Hui
Favorite |  | TC[WOS]:6 TC[Scopus]:7 | Submit date：2021/09/10
Density Functional Theory  Electrocatalysis  Electrochemical Nitrogen Reduction  Nitrogen Fixation  Transition Metal Nitrides