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Interplay Between Site Activity and Density of BCC Iron for Ammonia Synthesis Based on First-Principles Theory 期刊论文
CHEMCATCHEM, 2019, 卷号: 11, 期号: 7, 页码: 1928-1934
Authors:  Zhang, Bing-Yan;  Su, Hai-Yan;  Liu, Jin-Xun;  Li, Wei-Xue
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Heterogeneous Catalysis  Density Functional Calculations  Iron  Kinetics  Ammonia synthesis  
First-principles kinetics study of carbon monoxide promoted Ostwald ripening of Au particles on FeO/Pt(111) 期刊论文
JOURNAL OF ENERGY CHEMISTRY, 2019, 卷号: 30, 页码: 108-113
Authors:  Hu, Sulei;  Ouyang, Runhai;  Li, Wei-Xue
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Carbon monoxide  Au particles  Ostwald ripening  First-principles kinetics  FeO/Pt(111)  
Bi2Te3 Plates with Single Nanopore: The Formation of Surface Defects and Self-Repair Growth 期刊论文
CHEMISTRY OF MATERIALS, 2018, 卷号: 30, 期号: 6, 页码: 1965-1970
Authors:  Dun, Chaochao;  Hewitt, Corey A.;  Jiang, Qike;  Guo, Yang;  Xu, Junwei;  Li, Yan;  Li, Qi;  Wang, Hongzhi;  Carroll, David L.
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Quantum Reaction Dynamics Based on a New Generation Density Functional and Neural Network Potential Energy Surfaces 期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2016, 卷号: 32, 期号: 1, 页码: 119-130
Authors:  Su Neil-Qiang;  Chen Jun;  Xu Xin;  Zhang Dong-H
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Density Functional  Potential Energy Surface  Neural Network  First Principles  Reaction Dynamics  
Comparison Studies on Sub-Nanometer-Sized Ion Clusters in Aqueous Solutions: Vibrational Energy Transfers; MD Simulations; and Neutron Scattering 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2015, 卷号: 119, 期号: 20, 页码: 9893
Authors:  Shen YN(沈宇能);  Wu TM(吴天敏);  Jiang B(蒋博);  Deng GH(邓罡华);  Li JB(李介博);  Chen HL(陈海龙);  Guo XM(郭逊敏);  Ge CQ(葛传琦);  Chen YJ(陈雅静);  Hong JY(洪洁雅);  Yang XM(杨学明);  Yuan KJ(袁开军);  Zhuang W(庄巍);  Zheng JR(郑俊荣)
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Degradation Mechanism Analysis of Ba0.5Sr0.5Co0.8Fe0.2O3-d Membranes at Intermediate-Low Temperatures 期刊论文
AICHE JOURNAL, 2015, 卷号: 61, 期号: 11, 页码: 3879
Authors:  Liu Y(刘妍);  Zhu XF(朱雪峰);  Yang WS(杨维慎)
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Facile construction of macroporous hybrid monoliths viathiol-methacrylate Michael addition click reaction for capillary liquidchromatography 期刊论文
JOURNAL OF CHROMATOGRAPHY A, 2015, 卷号: 1379, 期号: 1, 页码: 34
Authors:  Lin H(林辉);  Ou JJ(欧俊杰);  Liu ZS(刘忠山);  Wang HW(王红卫);  Dong J(董靖);  Zou HF(邹汉法)
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Effect of Surface Structure on the Photoreactivity of TiO2 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2015, 卷号: 119, 期号: 11, 页码: 6121-6127
Authors:  Mao, Xinchun;  Wang, Zhiqiang;  Lang, Xiufeng;  Hao, Qunqing;  Wen, Bo;  Dai, Dongxu;  Zhou, Chuanyao;  Liu, Li-Min;  Yang, Xueming;  Zhou CY(周传耀);  Liu LM(刘利民);  Yang XM(杨学明)
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Recombination of Formaldehyde and Hydrogen Atoms on TiO2(110) 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2015, 卷号: 119, 期号: 2, 页码: 1170-1174
Authors:  Mao, Xinchun;  Wei, Dong;  Wang, Zhiqiang;  Jin, Xianchi;  Hao, Qunqing;  Ren, Zefeng;  Dai, Dongxu;  Ma, Zhibo;  Zhou, Chuanyao;  Yang, Xueming;  Ma ZB(马志博);  Zhou CY(周传耀);  Yang XM(杨学明)
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Following Molecules through Reactive Networks: Surface Catalyzed Decomposition of Methanol on Pd(111); Pt(111); and Ni(111) 期刊论文
Journal of Physical Chemistry C, 2015, 卷号: 118, 期号: 1, 页码: 12364
Authors:  ZebC.Kramer;  Xiang-KuiGu;  DingyuD.Y.Zhou;  Li WX(李微雪);  RexT.Skodje
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