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Ab initio molecular dynamics simulation on interfacial reaction behavior of Fe-Cr-Ni stainless steel in high temperature water 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 149, 页码: 143-152
Authors:  Wang, HT;  Han, EH;  Wang, HT (reprint author), Chinese Acad Sci, Inst Met Res, CAS Key Lab Nucl Mat & Safety Assessment, Shenyang 110016, Liaoning, Peoples R China.
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Revealing the Janus Character of the Coke Precursor in the Propane Direct Dehydrogenation on Pt Catalysts from a kMC Simulation 期刊论文
ACS CATALYSIS, 2018, 卷号: 8, 期号: 5, 页码: 4694-4704
Authors:  Lian, Z;  Ali, S;  Liu, TF;  Si, CW;  Li, B;  Su, DS
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The Interactions between High Temperature Water and Fe3O4(111) by First-Principles Molecular Dynamics Simulation 期刊论文
INTERNATIONAL JOURNAL OF ELECTROCHEMICAL SCIENCE, 2018, 卷号: 13, 期号: 3, 页码: 2430-2440
Authors:  Haitao, WT;  Sun, XF;  Han, EH;  Haitao, WT (reprint author), Chinese Acad Sci, Inst Met Res, CAS Key Lab Nucl Mat & Safety Assessment, Shenyang 110016, Liaoning, Peoples R China.
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Nitrogen-doped carbon nanotubes as bifunctional catalysts with enhanced catalytic performance for selective oxidation of ethanol 期刊论文
CARBON, 2017, 卷号: 111, 页码: 519-528
Authors:  Wang, Jia;  Huang, Rui;  Zhang, Yajie;  Diao, Jiangyong;  Zhang, Jiayun;  Liu, Hongyang;  Su, Dangsheng;  Liu, HY;  Su, DS (reprint author), Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, Shenyang 110016, Peoples R China.
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Methane Dissociation on Li-, Na-, K-, and Cu-Doped Flat and Stepped CaO(001) 期刊论文
Journal of Physical Chemistry C, 2013, 卷号: 117, 期号: 14, 页码: 7114-7122
Authors:  X. Y. Sun;  B. Li;  H. Metiu
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Ethane Activation by Nb-Doped NiO 期刊论文
Journal of Physical Chemistry C, 2013, 卷号: 117, 期号: 45, 页码: 23597-23608
Authors:  X. Y. Sun;  B. Li;  H. Metiu
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Intrinsic mechanisms on enhancement of hydrogen desorption from MgH(2) by (001) surface doping 期刊论文
International Journal of Hydrogen Energy, 2011, 卷号: 36, 期号: 20, 页码: 12939-12949
Authors:  J. H. Dai;  Y. Song;  R. Yang
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Adsorption of water molecule on (001) and (110) surfaces of MgH2 期刊论文
Surface Science, 2011, 卷号: 605, 期号: 13-14, 页码: 1224-1229
Authors:  J. H. Dai;  Y. Song;  R. Yang
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Anatase TiO(2) Crystal Facet Growth: Mechanistic Role of Hydrofluoric Acid and Photoelectrocatalytic Activity 期刊论文
Acs Applied Materials & Interfaces, 2011, 卷号: 3, 期号: 7, 页码: 2472-2478
Authors:  H. M. Zhang;  Y. Wang;  P. R. Liu;  Y. H. Han;  X. D. Yao;  J. Zou;  H. M. Cheng;  H. J. Zhao
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Oxygen Reduction Reaction on Metal-Terminated MnCr(2)O(4) Nano-octahedron Catalyzing MnS Dissolution in an Austenitic Stainless Steel 期刊论文
Journal of Physical Chemistry C, 2011, 卷号: 115, 期号: 10, 页码: 4127-4133
Authors:  Y. J. Wang;  P. Hu;  X. L. Ma
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