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Enhanced Sulfur Transformation by Multifunctional FeS2/FeS/S Composites for High-Volumetric Capacity Cathodes in Lithium-Sulfur Batteries 期刊论文
ADVANCED SCIENCE, 2019, 卷号: 6
作者:  Xi, Kai;  He, Deqing;  Harris, Chris;  Wang, Yuankun;  Lai, Chao
收藏  |  浏览/下载:132/0  |  提交时间:2019/11/19
Trends and Descriptors of Metal-Modified Transition Metal Carbides for Hydrogen Evolution in Alkaline Electrolyte 期刊论文
ACS CATALYSIS, 2019, 卷号: 9, 页码: 2415-2422
作者:  Zhang, Qian;  Jiang, Zhao;  Tackett, Brian M.;  Denny, Steven R.;  Tian, Boyuan
收藏  |  浏览/下载:3/0  |  提交时间:2019/11/19
A DFT study on the enthalpies of thermite reactions and enthalpies of formation of metal composite oxide 期刊论文
CHEMICAL PHYSICS, 2018, 卷号: 507, 页码: 19-27
作者:  Zhang, Yu-ying;  Wang, Meng-jie;  Chang, Chun-ran;  Xu, Kang-zhen;  Ma, Hai-xia
收藏  |  浏览/下载:7/0  |  提交时间:2019/11/19
Oxidative degradation of quinazoline in supercritical water: a combined ReaxFF and DFT study 期刊论文
MOLECULAR SIMULATION, 2018, 卷号: 44, 页码: 1508-1519
作者:  Li, Guoxing;  Lu, Youjun
收藏  |  浏览/下载:2/0  |  提交时间:2019/11/19
New insights into photocatalytic mechanism and photoelectrochemical property of bismuth oxybromide heterostructure with DFT investigation 期刊论文
APPLIED SURFACE SCIENCE, 2018, 卷号: 458, 页码: 464-477
作者:  Xing, Yonglei;  Ni, Gang;  Liu, Jie;  Tian, Yapeng;  Que, Wenxiu
收藏  |  浏览/下载:4/0  |  提交时间:2019/11/26
Design of bimetallic Rh-M catalysts for N2O decomposition: From DFT calculation to experimental study 期刊论文
MOLECULAR CATALYSIS, 2018, 卷号: 446, 页码: 1-9
作者:  Chen, Hao;  Lu, Qinghua;  Yi, Chunhai;  Yang, Bolun;  Qi, Suitao
收藏  |  浏览/下载:11/0  |  提交时间:2019/11/26
Pt-modified TaC as an efficient electrocatalyst for ethanol oxidation in acid and alkaline electrolytes 期刊论文
APPLIED CATALYSIS B-ENVIRONMENTAL, 2018, 卷号: 234, 页码: 329-336
作者:  Jiang, Zhao;  Zhang, Qian;  Liang, Zhixiu;  Chen, Jingguang G.
收藏  |  浏览/下载:8/0  |  提交时间:2019/11/26
Adsorption of CH3I on Ag(111) and Ag2O(111) surface: A density functional theory study 期刊论文
CHEMICAL PHYSICS, 2018, 卷号: 513, 页码: 35-40
作者:  Yang, Lin;  Zhao, Yao Lin;  Li, Kui;  Chen, Zhong Cun;  Zhang, Peng
收藏  |  浏览/下载:17/0  |  提交时间:2019/11/26
Elastic constants and homogenized moduli of gypsum structure based on Density Functional Theory 会议论文
作者:  Fu, Jia;  Lin, Weihui
收藏  |  浏览/下载:3/0  |  提交时间:2019/11/26
Density functional theory based study of the heat of polymerization of olefins 期刊论文
BULGARIAN CHEMICAL COMMUNICATIONS, 2017, 卷号: 49, 页码: 134-138
作者:  Zhang, Q. -Z.;  Liu, J. -L.;  Yang, F.;  Hao, X. -P.;  Ke, C. -Y.
收藏  |  浏览/下载:2/0  |  提交时间:2019/11/26


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