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期刊论文 [41]
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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
作者:
Si, Chaowei
;
Yang, Min
;
Li, Bo
收藏
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浏览/下载:32/0
  |  
提交时间: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
作者:
Zhi, ShuaiKe
;
Lian, Zan
;
Si, ChaoWei
;
Jan, Faheem
;
Yang, Min
;
Li, Bo
收藏
  |  
浏览/下载:111/0
  |  
提交时间: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
作者:
Lian, Zan
;
Si, Chaowei
;
Jan, Faheem
;
Zhi, ShuaiKe
;
Li, Bo
收藏
  |  
浏览/下载:118/0
  |  
提交时间: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
作者:
Lian, Zan
;
Yang, Min
;
Jan, Faheem
;
Li, Bo
收藏
  |  
浏览/下载:145/0
  |  
提交时间: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
作者:
Ali, Sajjad
;
Lian, Zan
;
Li, Bo
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  |  
浏览/下载:129/0
  |  
提交时间: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
作者:
Chen, Shuo
;
Liu, Tianfu
;
Olanrele, Samson O.
;
Lian, Zan
;
Si, Chaowei
;
Chen, Zhimin
;
Li, Bo
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  |  
浏览/下载:176/0
  |  
提交时间: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
作者:
Ali, Sajjad
;
Khan, Muhammad Baber Azam
;
Khan, Said Alam
;
Noora
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  |  
浏览/下载:152/0
  |  
提交时间: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
作者:
Si, Chaowei
;
Lian, Zan
;
Olanrele, Samson O.
;
Sun, XiaoYing
;
Li, Bo
收藏
  |  
浏览/下载:153/0
  |  
提交时间: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
作者:
Si, Chaowei
;
Lian, Zan
;
Olanrele, Samson O.
;
Sun, XiaoYing
;
Li, Bo
收藏
  |  
浏览/下载:122/0
  |  
提交时间: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
作者:
Cui, Cong
;
Cheng, Renfei
;
Zhang, Chao
;
Wang, Xiaohui
收藏
  |  
浏览/下载:133/0
  |  
提交时间:2021/02/02
Clean energy
Hydrogen evolution reaction
Pt catalyst
MXene
Porous MAX phase