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Revisiting the origin of the superior performance of defective zirconium oxide catalysts in propane dehydrogenation: Double-edged oxygen vacancy 期刊论文
CHINESE JOURNAL OF CATALYSIS, 2025, 卷号: 68, 页码: 272-281
作者:  Tang, Yuqing;  Chen, Yanjun;  Abid, Aqsa;  Meng, Zichun;  Sun, Xiaoying;  Li, Bo;  Zhao, Zhen
收藏  |  浏览/下载：7/0  |  提交时间：2025/04/27
Propane dehydrogenation  Zirconium oxide  Oxygen vacancy  Density functional theory  Microkinetic  
Revisiting the origin of the superior performance of defective zirconium oxide catalysts in propane dehydrogenation: Double-edged oxygen vacancy 期刊论文
CHINESE JOURNAL OF CATALYSIS, 2025, 卷号: 68, 页码: 272-281
作者:  Tang, Yuqing;  Chen, Yanjun;  Abid, Aqsa;  Meng, Zichun;  Sun, Xiaoying;  Li, Bo;  Zhao, Zhen
收藏  |  浏览/下载：5/0  |  提交时间：2025/04/27
Propane dehydrogenation  Zirconium oxide  Oxygen vacancy  Density functional theory  Microkinetic  
Controlling Metal-Oxide Reducibility for Efficient C-H Bond Activation in Hydrocarbons 期刊论文
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2023, 页码: 11
作者:  Yang, Guo-Qing;  Niu, Yiming;  Kondratenko, Vita A.;  Yi, Xianfeng;  Liu, Chang;  Zhang, Bingsen;  Kondratenko, Evgenii V.;  Liu, Zhong-Wen
收藏  |  浏览/下载：10/0  |  提交时间：2024/01/08
C-H Activation  Dehydrogenation  Reducibility  Tailoring Catalyst Structure  Vanadium Oxide  
Efficient Screening of Metal Promoters of Pt Catalysts for C-H Bond Activation in Propane Dehydrogenation from a Combined First-Principles Calculations and Machine-Learning Study 期刊论文
ACS OMEGA, 2023, 卷号: 8, 期号: 26, 页码: 23982-23990
作者:  Zhou, Nuodan;  Liu, Wen;  Jan, Faheem;  Han, ZhongKang;  Li, Bo
收藏  |  浏览/下载：8/0  |  提交时间：2024/01/07
Boosting nitrogen electrocatalytic fixation by three-dimensional TiO2-delta N delta nanowire arrays 期刊论文
JOURNAL OF ENERGY CHEMISTRY, 2022, 卷号: 75, 页码: 293-300
作者:  Mu, Jianjia;  Gao, Xuan-Wen;  Liu, Zhaomeng;  Luo, Wen-Bin;  Sun, Zhenhua;  Gu, Qinfen;  Li, Feng
收藏  |  浏览/下载：37/0  |  提交时间：2023/05/09
Nanowires  TiO2-delta N delta  Electrocatalysis  NRR  DFT  
Boosting nitrogen electrocatalytic fixation by three-dimensional TiO2-delta N delta nanowire arrays 期刊论文
JOURNAL OF ENERGY CHEMISTRY, 2022, 卷号: 75, 页码: 293-300
作者:  Mu, Jianjia;  Gao, Xuan-Wen;  Liu, Zhaomeng;  Luo, Wen-Bin;  Sun, Zhenhua;  Gu, Qinfen;  Li, Feng
收藏  |  浏览/下载：52/0  |  提交时间：2023/05/09
Nanowires  TiO2-delta N delta  Electrocatalysis  NRR  DFT  
Fully Exposed Metal Clusters: Fabrication and Application in Alkane Dehydrogenation 期刊论文
ACS CATALYSIS, 2022, 卷号: 12, 期号: 20, 页码: 12720-12743
作者:  Chen, Xiaowen;  Peng, Mi;  Xiao, Dequan;  Liu, Hongyang;  Ma, Ding
收藏  |  浏览/下载：31/0  |  提交时间：2023/05/09
metal clusters  alkane dehydrogenation  structure-dependence  metal-dependence  heterogeneous catalysis  
Kinetic Evidence of Most Abundant Surface Intermediates Variation over Pt-n and Pt-p: Few-Atom Pt Ensembles Enable Efficient Catalytic Cyclohexane Dehydrogenation for Hydrogen Production-II 期刊论文
ACS CATALYSIS, 2022, 卷号: 12, 期号: 12, 页码: 7248-7261
作者:  Guo, Jinqiu;  Peng, Mi;  Jia, Zhimin;  Li, Chengyu;  Liu, Hongyang;  Zhang, Hongbo;  Ma, Ding
收藏  |  浏览/下载：98/0  |  提交时间：2022/09/16
cyclohexane dehydrogenation  H-2 dependencies  most abundant surface intermediates  rate-determining step  universal model  parity plots  
Revealing the role of HBr in propane dehydrogenation on CeO2(111) via DFT-based microkinetic simulation 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2022, 卷号: 24, 期号: 16, 页码: 9718-9726
作者:  Jan, Faheem;  Lian, Zan;  Zhi, Shuaike;  Yang, Min;  Si, Chaowei;  Li, Bo
收藏  |  浏览/下载：104/0  |  提交时间：2022/07/01
Achieving efficient N-2 electrochemical reduction by stabilizing the N2H* intermediate with the frustrated Lewis pairs 期刊论文
JOURNAL OF ENERGY CHEMISTRY, 2022, 卷号: 66, 页码: 628-634
作者:  Chen, Zhe;  Zhao, Jingxiang;  Jiao, Yan;  Wang, Tao;  Yin, Lichang
收藏  |  浏览/下载：106/0  |  提交时间：2022/07/01
Nitrogen reduction  Electrocatalysis  Intermediate stabilization strategy  Density functional theory