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First-principles study of the atomic and electronic properties of (100) stacking faults in BaSnO3 crystal 期刊论文
CHEMICAL PHYSICS LETTERS, 2018, 卷号: 694, 页码: 65-69
作者:  Xue, YB;  Wang, WY;  Guo, Y;  Guo, Y (reprint author), Anyang Inst Technol, Dept Chem & Environm Engn, Anyang 455000, Peoples R China.
收藏  |  浏览/下载:202/0  |  提交时间:2018/06/05
Total-energy Calculations  Augmented-wave Method  Doped Basno3  Ab-initio  Barium Stannate  1st Principles  Thin-films  Basis-set  Perovskite  Ceramics  
Dispersive adsorption of Xylopia aethiopica constituents on carbon steel in acid-chloride medium: A combined experimental and theoretical approach 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2018, 卷号: 249, 页码: 371-388
作者:  Njoku, DI;  Li, Y;  Lgaz, H;  Oguzie, EE;  Li, Y (reprint author), Chinese Acad Sci, Inst Met Res, Lab Corros & Protect, 62 Wencui Rd, Shenyang 110016, Liaoning, Peoples R China.
收藏  |  浏览/下载:161/0  |  提交时间:2018/06/05
Materials Protection Corrosion  Kola-nitida Extract  m Hcl Medium  Mild-steel  Hydrochloric-acid  Sulfuric-acid  Natural-products  Inhibition Performance  Electronic-structure  H2so4 Solutions  
Carbon vacancies in Ti2CT2 MXenes: defects or a new opportunity? 期刊论文
ROYAL SOC CHEMISTRY, 2017, 卷号: 19, 期号: 47, 页码: 31773-31780
作者:  Hu, Tao;  Yang, Jinxing;  Wang, Xiaohui;  Wang, XH (reprint author), Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, Shenyang 110016, Liaoning, Peoples R China.
收藏  |  浏览/下载:195/0  |  提交时间:2018/01/10
Nanofiber/ZrO2-based mixed matrix separator for high safety/high-rate lithium-ion batteries 期刊论文
ELSEVIER SCIENCE BV, 2017, 卷号: 686, 页码: 134-139
作者:  Xiao, Wei;  Liu, Jianguo;  Yan, Chuanwei;  Xiao, W (reprint author), Chinese Acad Sci, Inst Met Res, Lab Corros & Protect, Shenyang 110016, Liaoning, Peoples R China.
收藏  |  浏览/下载:141/0  |  提交时间:2018/01/10
Lithium-ion Battery  Composite Separator  Thermal Stability  C-rate Capability  
The effect of defects on the catalytic activity of single Au atom supported carbon nanotubes and reaction mechanism for CO oxidation 期刊论文
ROYAL SOC CHEMISTRY, 2017, 卷号: 19, 期号: 33, 页码: 22344-22354
作者:  Ali, Sajjad;  Liu, Tian Fu;  Lian, Zan;  Li, Bo;  Su, Dang Sheng;  Li, B;  Su, DS (reprint author), Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, 72 Wenhua Rd, Shenyang 110016, Liaoning, Peoples R China.
收藏  |  浏览/下载:105/0  |  提交时间:2018/01/10
Anomalous low strain induced by surface charge in nanoporous gold with low relative density 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017, 卷号: 19, 期号: 29, 页码: 19217-19224
作者:  Liu, Feng;  Ye, Xing-Long;  Jin, Hai-Jun;  Jin, HJ (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Liaoning, Peoples R China.
收藏  |  浏览/下载:105/0  |  提交时间:2017/08/17
Characterization, electrochemical and theoretical study of the anticorrosion properties of Moringa oleifera extract 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2017, 卷号: 237, 页码: 247-256
作者:  Njoku, Demian I.;  Oguzie, Emeka E.;  Li, Ying;  Li, Y (reprint author), Chinese Acad Sci, Inst Met Res, 62 Wencui Rd, Shenyang 110016, Peoples R China.
收藏  |  浏览/下载:119/0  |  提交时间:2017/08/17
Carbon Steel  Nacl/h2so4  Gc-ms  Ftir  Adsorption  Molecular Dynamics  
The synergy effect and reaction pathway in the oxygen reduction reaction on the sulfur and nitrogen dual doped graphene catalyst 期刊论文
CHEMICAL PHYSICS LETTERS, 2017, 卷号: 677, 页码: 65-69
作者:  Song, Jian;  Liu, TianFu;  Ali, Sajjad;  Li, Bo;  Su, DangSheng;  Li, B;  Su, DS (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, 72 Wenhua Rd, Shenyang 110016, Peoples R China.
收藏  |  浏览/下载:99/0  |  提交时间:2017/08/17
Orr  Doping  Spin Density  
GW100: A Plane Wave Perspective for Small Molecules 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2017, 卷号: 13, 期号: 2, 页码: 635-648
作者:  Maggio, Emanuele;  Liu, Peitao;  van Setten, Michiel J.;  Kresse, Georg;  Kresse, G (reprint author), Univ Vienna, Fac Phys, Sensengasse 8-12, A-1090 Vienna, Austria.;  Kresse, G (reprint author), Univ Vienna, Ctr Computat Mat Sci, Sensengasse 8-12, A-1090 Vienna, Austria.
收藏  |  浏览/下载:120/0  |  提交时间:2017/08/17
Investigation of the electrolyte properties for the vanadium redox flow battery (VI): Measurement and prediction of surface tension of aqueous VOSO4 at 283.15 to 313.15 K 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2017, 卷号: 225, 页码: 296-301
作者:  Li, Xiangrong;  Zhao, Jinling;  Qin, Ye;  Xu, Weiguo;  Liu, Jianguo;  Yang, Jiazhen;  Xu, Qian;  Yan, Chuanwei;  Qin, Y;  Liu, JG (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang 110016, Peoples R China.
收藏  |  浏览/下载:209/0  |  提交时间:2017/08/17
Vanadium Redox Flow Battery  Electrolyte  Vanadyl Sulfate  Surface Tension  Molar Surface Gibbs Free Energy  Elitvos Equation