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Innovative Fluorinated Polyimides with Superior Thermal, Mechanical, and Dielectric Properties for Advanced Soft Electronics 期刊论文
POLYMERS, 2025, 卷号: 17, 期号: 3, 页码: 12./通讯作者：刘屹东, Min, Yonggang
Authors:  Chen YW(陈钰玮);  Liu YD(刘屹东);  Min, Yonggang
Favorite  |  View/Download：2/0  |  Submit date：2025/03/21
fluorinated  polyimide  low dielectric constant  molecular dynamics  DFT  
First-principles study of hydrogen trapping and diffusion mechanisms in vanadium carbide with connecting carbon vacancies 期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2024, 卷号: 91, 页码: 611-617./通讯作者：Tang, Shuai, Peng, Qing
Authors:  Li, Linxian;  Lan, Huifang;  Tang, Shuai;  Yan, Haile;  Tan, Fengliang;  vanderZwaag, Sybrand;  Peng Q(彭庆);  Liu, Zhenyu;  Wang, Guodong
Favorite  |  View/Download：33/0  |  Submit date：2024/11/22
DFT calculation  VC precipitates  Hydrogen trap  Hydrogen diffusion  
Mechanism of the generation of benzaldehyde and benzoic acid on Pd (111) surface during the destruction of toluene: Verification of experiments and models 期刊论文
APPLIED SURFACE SCIENCE, 2024, 卷号: 657, 页码: 11./通讯作者：Liang, Wenjun
Authors:  Zhu, Yuxue;  Li, Xiang;  Zhang CH(张晨航);  Fang, Hongping;  Bin F(宾峰);  Liang, Wenjun
Favorite  |  View/Download：115/0  |  Submit date：2024/05/14
Catalysis  DFT  Activation energy  Pd  By-product  
Intrinsic sodium occurrence in Zhundong coal: Experimental observations and molecular modeling 期刊论文
FUEL, 2021, 卷号: 305, 页码: 12./通讯作者：Wei, Xiaolin
Authors:  Sun C(孙岑);  Wei XL(魏小林);  Kang RN(康润宁);  Bin F(宾峰);  Li S(李森)
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Alkali metal occurrence model  Zhundong coal  Molecular model  DFT  NMR  
Iron-modulated nickel cobalt phosphide embedded in carbon to boost power density of hybrid sodium-air battery 期刊论文
APPLIED CATALYSIS B-ENVIRONMENTAL, 2021, 卷号: 285, 页码: 11./通讯作者：Hui, Kwan San, Liang, Feng, Chen, Fuming, Hui, Kwun Nam
Authors:  Kang, Yao;  Wang, Shuo;  Zhu, Siqi;  Gao, Haixing;  Hui, Kwan San;  Yuan, ChengZong;  Yin, Hong;  Bin F(宾峰);  Wu, XiLin;  Mai, Wenjie;  Zhu, Ling;  Hu, Maocong;  Liang, Feng;  Chen, Fuming;  Hui, Kwun Nam
Adobe PDF(7410Kb)  |  Favorite  |  View/Download：551/207  |  Submit date：2021/04/07
Iron doping  Nickel cobalt phosphide  Electronic structure reformation  DFT calculation  Hybrid sodium-air battery  
Efficient Hydrogen Peroxide (H2O2) Synthesis by CaSnO3 via Two-Electron Water Oxidation Reaction 期刊论文
ACS SUSTAINABLE CHEMISTRY & ENGINEERING, 2020, 卷号: 8, 期号: 39, 页码: 15005-15012./通讯作者：Fu, Dong, Dou, Baojuan
Authors:  Kang T;  Li B;  Hao QL;  Gao WJ;  Bin F(宾峰);  Hui KN;  Fu D;  Dou BJ
Adobe PDF(916Kb)  |  Favorite  |  View/Download：674/334  |  Submit date：2020/11/30
CaSnO3 nanoparticles  in situ H2O2 generation  two-electron water oxidation reaction  DFT  vacancy oxygen  calcination  
Effects of alloying on the behavior of B and S at Sigma 5 (210) grain boundary in gamma-Fe 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2016, 卷号: 115, 页码: 170-176
Authors:  Li YP;  Han C;  Zhang CL;  Jia K;  Han PD;  Wu XL(武晓雷);  Li, YP;  Zhang, CL (reprint author), Taiyuan Univ Technol, 79 West Yingze St, Taiyuan 030024, Peoples R China.
View  |  Adobe PDF(1941Kb)  |  Favorite  |  View/Download：546/153  |  Submit date：2016/03/21
Alloying  Impurities Segregation  Gamma-fe  Grain Boundary Cohesion  Dft  
DFT study of the effects of interstitial impurities on the resistance of Cr-doped gamma-Fe(111) surface dissolution corrosion 期刊论文
JOURNAL OF MOLECULAR MODELING, 2015, 卷号: 21, 期号: 8, 页码: 206
Authors:  Han C;  Zhang CL;  Liu XL;  Zhuang SY;  Huang H;  Han PD;  Wu XL(武晓雷);  Zhang, CL (reprint author), Taiyuan Univ Technol, Coll Mat Sci & Engn, 79 West Yingze St, Taiyuan 030024, Peoples R China.
View  |  Adobe PDF(1335Kb)  |  Favorite  |  View/Download：413/161  |  Submit date：2015/09/22
Cr Segregation  Interstitial Impurities  Dissolution Corrosion  Electrode Potential  Dft  
A density functional study of zinc oxide elastic properties under high pressure 会议论文
IUTAM Symposium on Surface Effects in the Mechanics of Nanomaterials and Heterostructures, Beijing, China, AUG 8-12, 2010
Authors:  Wang BB(王斌斌);  Zhao YP(赵亚溥)
View  |  Adobe PDF(872Kb)  |  Favorite  |  View/Download：800/286  |  Submit date：2014/03/04
Zno  Elastic Properties  Density Functional Theory (Dft)  Multi-scale Simulation