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Revealing the Tunable Effects of Single Metal Atoms Supported on Nitrogen-Doped Carbon Nanotubes during NO Oxidation from Microkinetic Simulation 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2022, 页码: 7
Authors:  Si, Chaowei;  Yang, Min;  Li, Bo
Favorite  |  View/Download：29/0  |  Submit date：2023/05/09
A critical evaluation of the catalytic role of CO2 in propane dehydrogenation catalyzed by chromium oxide from a DFT-based microkinetic simulation 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2022, 卷号: 24, 期号: 18, 页码: 11030-11038
Authors:  Zhi, ShuaiKe;  Lian, Zan;  Si, ChaoWei;  Jan, Faheem;  Yang, Min;  Li, Bo
Favorite  |  View/Download：108/0  |  Submit date：2022/07/01
Coke Deposition on Pt-Based Catalysts in Propane Direct Dehydrogenation: Kinetics, Suppression, and Elimination 期刊论文
ACS CATALYSIS, 2021, 卷号: 11, 期号: 15, 页码: 9279-9292
Authors:  Lian, Zan;  Si, Chaowei;  Jan, Faheem;  Zhi, ShuaiKe;  Li, Bo
Favorite  |  View/Download：112/0  |  Submit date：2021/10/15
propane dehydrogenation  Pt-based catalysis  coke formation  kinetics  promoter  
Machine Learning Derived Blueprint for Rational Design of the Effective Single-Atom Cathode Catalyst of the Lithium-Sulfur Battery 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2021, 卷号: 12, 期号: 29, 页码: 7053-7059
Authors:  Lian, Zan;  Yang, Min;  Jan, Faheem;  Li, Bo
Favorite  |  View/Download：141/0  |  Submit date：2021/10/15
Density Functional Theory Study of a Graphdiyne-Supported Single Au Atom Catalyst for Highly Efficient Acetylene Hydrochlorination 期刊论文
ACS APPLIED NANO MATERIALS, 2021, 卷号: 4, 期号: 6, 页码: 6152-6159
Authors:  Ali, Sajjad;  Lian, Zan;  Li, Bo
Favorite  |  View/Download：125/0  |  Submit date：2021/10/15
single-atom catalyst  graphdiyne  acetylene hydrochlorination  reaction mechanism  density functional theory  
Boosting electrocatalytic activity for CO2 reduction on nitrogen-doped carbon catalysts by co-doping with phosphorus 期刊论文
JOURNAL OF ENERGY CHEMISTRY, 2021, 卷号: 54, 页码: 143-150
Authors:  Chen, Shuo;  Liu, Tianfu;  Olanrele, Samson O.;  Lian, Zan;  Si, Chaowei;  Chen, Zhimin;  Li, Bo
Favorite  |  View/Download：171/0  |  Submit date：2021/03/15
Metal-free catalyst  CO2 reduction  Co-doping, DFT  
The catalytic performance of metal-free defected carbon catalyst towards acetylene hydrochlorination revealed from first-principles calculation 期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2020, 页码: 8
Authors:  Ali, Sajjad;  Khan, Muhammad Baber Azam;  Khan, Said Alam;  Noora
Favorite  |  View/Download：149/0  |  Submit date：2021/02/02
acetylene hydrochlorination  defected carbon  density functional theory  metal-free catalyst  
Revealing the origin of the reactivity of metal-free boron nitride catalysts in oxidative dehydrogenation of propane 期刊论文
APPLIED SURFACE SCIENCE, 2020, 卷号: 519, 页码: 8
Authors:  Si, Chaowei;  Lian, Zan;  Olanrele, Samson O.;  Sun, XiaoYing;  Li, Bo
Favorite  |  View/Download：148/0  |  Submit date：2021/02/02
Boron nitride  Oxidative dehydrogenation  Metal-free catalyst  Reaction mechanism  Density functional theory  
Revealing the origin of the reactivity of metal-free boron nitride catalysts in oxidative dehydrogenation of propane 期刊论文
APPLIED SURFACE SCIENCE, 2020, 卷号: 519, 页码: 8
Authors:  Si, Chaowei;  Lian, Zan;  Olanrele, Samson O.;  Sun, XiaoYing;  Li, Bo
Favorite  |  View/Download：121/0  |  Submit date：2021/02/02
Boron nitride  Oxidative dehydrogenation  Metal-free catalyst  Reaction mechanism  Density functional theory  
Pt immobilized spontaneously on porous MXene/MAX hybrid monolith for hydrogen evolution reaction 期刊论文
CHINESE CHEMICAL LETTERS, 2020, 卷号: 31, 期号: 4, 页码: 988-991
Authors:  Cui, Cong;  Cheng, Renfei;  Zhang, Chao;  Wang, Xiaohui
Favorite  |  View/Download：129/0  |  Submit date：2021/02/02
Clean energy  Hydrogen evolution reaction  Pt catalyst  MXene  Porous MAX phase