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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
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TC[WOS]:
0
TC[Scopus]:
0
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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
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TC[WOS]:
0
TC[Scopus]:
0
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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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TC[WOS]:
3
TC[Scopus]:
4
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Submit date:2022/02/21
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
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TC[WOS]:
0
TC[Scopus]:
0
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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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TC[WOS]:
0
TC[Scopus]:
1
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Submit date:2021/12/08
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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TC[WOS]:
0
TC[Scopus]:
0
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Submit date:2021/11/30
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
Favorite
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TC[WOS]:
7
TC[Scopus]:
6
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Submit date:2021/11/30
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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TC[WOS]:
0
TC[Scopus]:
0
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Submit date:2021/12/08
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
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TC[WOS]:
0
TC[Scopus]:
0
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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
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TC[WOS]:
6
TC[Scopus]:
7
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Submit date:2021/09/10
Density Functional Theory
Electrocatalysis
Electrochemical Nitrogen Reduction
Nitrogen Fixation
Transition Metal Nitrides