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Intrinsic sodium occurrence in Zhundong coal: Experimental observations and molecular modeling 期刊论文
FUEL, 2021, 卷号: 305, 页码: 12
作者:  Sun C(孙岑);  Wei XL(魏小林);  Kang RN(康润宁);  Bin F(宾峰);  Li S(李森)
Adobe PDF(9737Kb)  |  收藏  |  浏览/下载：286/50  |  提交时间：2021/11/01
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
作者:  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)  |  收藏  |  浏览/下载：360/123  |  提交时间：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
作者:  Kang T;  Li B;  Hao QL;  Gao WJ;  Bin F(宾峰);  Hui KN;  Fu D;  Dou BJ
Adobe PDF(916Kb)  |  收藏  |  浏览/下载：440/253  |  提交时间：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
作者:  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.
浏览  |  Adobe PDF(1941Kb)  |  收藏  |  浏览/下载：412/100  |  提交时间：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
作者:  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.
浏览  |  Adobe PDF(1335Kb)  |  收藏  |  浏览/下载：321/120  |  提交时间：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
作者:  Wang BB(王斌斌);  Zhao YP(赵亚溥)
浏览  |  Adobe PDF(872Kb)  |  收藏  |  浏览/下载：676/246  |  提交时间：2014/03/04
Zno  Elastic Properties  Density Functional Theory (Dft)  Multi-scale Simulation