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Microenvironment of the HMOR catalyst leads to high ethylene selectivity from ketene conversion: Insights from ab initio molecular dynamics simulations 期刊论文
CHEMICAL ENGINEERING JOURNAL, 2024, 卷号: 481
作者:  Chen, Qingteng;  Liu, Jian;  Yang, Bo
Adobe PDF(7253Kb)  |  收藏  |  浏览/下载：41/0  |  提交时间：2024/02/02
Topological Structure Realized in Cove-Edged Graphene Nanoribbons via Incorporation of Periodic Pentagon Rings 期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2024
作者:  Zhu, Xujie;  Li, Kezhen;  Liu, Jian;  Wang, Zhou;  Ding, Zhihao
Adobe PDF(5097Kb)  |  收藏  |  浏览/下载：43/0  |  提交时间：2024/03/22
Band structure  Cobalt alloys  Electronic structure  Nanoribbons  Scanning tunneling microscopy  Topology  Embeddings  Graphene nanoribbons  Metallics  Noncontact atomic force microscopy  Scanning tunnelling spectroscopy  Semiconducting band structure  Topological bands  Topological structure  Zigzag graphene nanoribbons  Zigzag-edged graphene nanoribbons  Band structure  Cobalt alloys  Electronic structure  Band structure  Cobalt alloys  Nanoribbons  Electronic structure  Scanning tunneling microscopy  Topology  Nanoribbons  Embeddings  Scanning tunneling microscopy  Graphene nanoribbons  Metallics  Topology  Noncontact atomic force microscopy  Embeddings  Scanning tunnelling spectroscopy  Semiconducting band structure  Graphene nanoribbons  Topological bands  Metallics  Topological structure  Noncontact atomic force microscopy  Zigzag graphene nanoribbons  Scanning tunnelling spectroscopy  Zigzag-edged graphene nanoribbons  Semiconducting band structure  Topological bands  Topological structure  Zigzag graphene nanoribbons  Zigzag-edged graphene nanoribbons  
Fine-tuning surface oxidation states of ruthenium nanoparticles to enhance hydrogen electrode reactions 期刊论文
JOURNAL OF MATERIALS CHEMISTRY A, 2023, 卷号: 11, 期号: 34, 页码: 18262-18271
作者:  Zhao, Hao;  Li, Jiejie;  Zou, Jian;  Tan, Yangchun;  Chen, Chi
Adobe PDF(1697Kb)  |  收藏  |  浏览/下载：44/0  |  提交时间：2023/08/28
基于计算模拟的“气体溶解平衡”的拓展教学 期刊论文
教育传播与技术, 2023, 期号: 03, 页码: 37-41+48
作者:  苌青;  刘健
收藏  |  浏览/下载：29/0  |  提交时间：2023/11/24
Uncertainty quantification of predicting stable structures for high-entropy alloys using Bayesian neural networks 期刊论文
JOURNAL OF ENERGY CHEMISTRY, 2023, 卷号: 81, 页码: 118-124
作者:  Zhou, Yonghui;  Yang, Bo
Adobe PDF(1898Kb)  |  收藏  |  浏览/下载：148/0  |  提交时间：2023/04/07
CO2 Activation on Ni(111) and Ni(110) Surfaces in the Presence of Hydrogen 期刊论文
THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2023, 卷号: 14, 期号: 19, 页码: 4381-4387
作者:  Zang, Yijing;  Cai, Jun;  Han, Yong;  Wu, Huanyang;  Zhu, Wen
Adobe PDF(3057Kb)  |  收藏  |  浏览/下载：277/1  |  提交时间：2023/05/07
Hydroxypillar[5]arene-Confined Silver Nanocatalyst for Selective Electrochemical Reduction of CO 2 to Ethanol 期刊论文
ADVANCED FUNCTIONAL MATERIALS, 2023
作者:  Junjie Qin;  Tao Wang;  Mingming Zhai;  Chengyu Wu;  Yahu A. Liu
Adobe PDF(2171Kb)  |  收藏  |  浏览/下载：115/0  |  提交时间：2023/05/04
Domino catalysis for selective dehydrogenation of ethane with shifted thermodynamic equilibrium 期刊论文
JOULE, 2023, 卷号: 7, 期号: 4, 页码: 753-764
作者:  Xuedi Qin;  Huanyang Wu;  Ruihang Wang;  Liang Wang;  Bo Yang
Adobe PDF(2326Kb)  |  收藏  |  浏览/下载：115/0  |  提交时间：2023/04/18
The axial ligands optimized activity of CO2 electroreduction to CO over penta-coordinated single atom iron–nitrogen–carbon catalysts 期刊论文
MATERIALS TODAY CHEMISTRY, 2023, 卷号: 29
作者:  Li, Jiejie;  Liu, Hong;  Liu, Jian;  Yang, Bo
Adobe PDF(1001Kb)  |  收藏  |  浏览/下载：114/0  |  提交时间：2023/04/07
Structure sensitivity of ethanol steam reforming over the Rh catalyst: Reaction kinetics and deactivation mechanisms 期刊论文
APPLIED SURFACE SCIENCE, 2023, 卷号: 614
作者:  Wu, Huanyang;  Yang, Bo
Adobe PDF(3315Kb)  |  收藏  |  浏览/下载：124/0  |  提交时间：2023/03/10