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Developing General Reactive Element-Based Machine Learning Potentials as the Main Computational Engine for Heterogeneous Catalysis 预印本
2024
作者:  Yang, Changxi;  Wu, Chenyu;  Xie, Wenbo;  Xie, Daiqian;  Hu, Peijun
Adobe PDF(3074Kb)  |  收藏  |  浏览/下载:38/6  |  提交时间:2024/11/11
Two-dimensional crystalline platinum oxide 期刊论文
NATURE MATERIALS, 2024
作者:  Jun Cai;  Liyang Wei;  Jian Liu;  Chaowu Xue;  Zhaoxi Chen
Adobe PDF(3342Kb)  |  收藏  |  浏览/下载:134/12  |  提交时间:2024/09/24
Coupling Between Local and Global Oscillations in Palladium-Catalysed Methane Oxidation 预印本
2024
作者:  Hu, Yuxiong;  Hu, Jianyu;  Sun, Mengzhao;  Li, Aowen;  Shi, Shucheng
Adobe PDF(2089Kb)  |  收藏  |  浏览/下载:90/0  |  提交时间:2024/08/26
ZnCr2O4(111)表面合成气选择性加氢反应机制的理论研究 期刊论文
稀有金属, 2024, 卷号: 48, 期号: 07, 页码: 955-964
作者:  刘慧慧;  来壮壮;  魏呵呵;  王志强;  郭耘
Adobe PDF(1575Kb)  |  收藏  |  浏览/下载:72/1  |  提交时间:2024/08/09
ZnCr2O4(111)-OV表面活性氢的产生及其在CO加氢中的应用 期刊论文
华东理工大学学报(自然科学版), 2024
作者:  刘慧慧;  来壮壮;  魏呵呵;  王志强;  胡培君
Adobe PDF(3076Kb)  |  收藏  |  浏览/下载:80/1  |  提交时间:2024/08/09
Identifying the Active Site on ZnxCryOz for HC-O Bond Cleavage in Syn-gas Conversion 预印本
2024
作者:  Wu, Jiawei;  Han, Yulan;  Jia, Menglei;  Xu, Jiayan;  Hu, Peijun
Adobe PDF(1918Kb)  |  收藏  |  浏览/下载:118/7  |  提交时间:2024/05/15
Reversible hydrogen spillover at the atomic interface for efficient alkaline hydrogen evolution 期刊论文
ENERGY AND ENVIRONMENTAL SCIENCE, 2024, 卷号: 355
作者:  Chao, Tingting;  Xie, Wenbo;  Hu, Yanmin;  Yu, Ge;  Zhao, Tonghui
Adobe PDF(3127Kb)  |  收藏  |  浏览/下载:178/0  |  提交时间:2024/02/23
Comprehensive understanding of ethylene epoxidation on copper catalysts: a microkinetic study with coverage effects 期刊论文
CATALYSIS SCIENCE AND TECHNOLOGY, 2024, 卷号: 14, 期号: 18, 页码: 5291-5303
作者:  Wang, Zhuozheng;  Xie, Wenbo;  Xu, Yarong;  Han, Yulan;  Xu, Jiayan
Adobe PDF(2874Kb)  |  收藏  |  浏览/下载:72/2  |  提交时间:2024/08/23
An ab initio microkinetic study of propane combustion over adjacent Pt1 on CeO2 (110) surface 期刊论文
INORGANIC CHEMISTRY COMMUNICATIONS, 2023, 卷号: 157
作者:  Dong, Jinshi;  Lai, Zhuangzhuang;  Huang, Shijun;  Li, Shengtong;  Hu, Peijun
Adobe PDF(955Kb)  |  收藏  |  浏览/下载:234/0  |  提交时间:2023/10/23
Unravelling the Impact of Metal Dopants and Oxygen Vacancies on Syngas Conversion over Oxides: A Machine Learning-Accelerated Study of CO Activation on Cr-Doped ZnO Surfaces 期刊论文
ACS CATALYSIS, 2023, 卷号: 13, 期号: 22, 页码: 15074-15086
作者:  Han, Yulan;  Xu, Jiayan;  Xie, Wenbo;  Wang, Zhuozheng;  Hu, P.
Adobe PDF(7789Kb)  |  收藏  |  浏览/下载:149/1  |  提交时间:2023/12/22