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期刊论文 [12]
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Resolving the Mechanism Complexity of Oxidative Dehydrogenation of Hydrocarbons on Nanocarbon by Microkinetic Modeling
期刊论文
ACS CATALYSIS, 2020, 卷号: 10, 期号: 23, 页码: 14006-14014
作者:
Lian, Zan
;
Si, Chaowei
;
Jan, Faheem
;
Yang, Min
;
Li, Bo
收藏
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浏览/下载:90/0
  |  
提交时间:2021/03/15
oxidative dehydrogenation
carbon catalysis
microkinetic modeling
radical reaction
reaction mechanism
density functional theory
Intermetallic PdIn catalyst for CO2 hydrogenation to methanol: mechanistic studies with a combined DFT and microkinetic modeling method
期刊论文
CATALYSIS SCIENCE & TECHNOLOGY, 2019, 卷号: 9, 期号: 21, 页码: 6102
作者:
Wu, Panpan
;
Yang, Bo
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  |  
浏览/下载:38/0
  |  
提交时间:2019/12/26
Essential Role of Water in the Autocatalysis Behavior of Methanol Synthesis from CO2 Hydrogenation on Cu: A Combined DFT and Microkinetic Modeling Study
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2019, 卷号: 123, 期号: 14, 页码: 8959
作者:
Xu, Dongyang
;
Wu, Panpan
;
Yang, Bo
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  |  
浏览/下载:27/0
  |  
提交时间:2019/12/26
Revealing the Janus Character of the Coke Precursor in the Propane Direct Dehydrogenation on Pt Catalysts from a kMC Simulation
期刊论文
ACS CATALYSIS, 2018, 卷号: 8, 期号: 5, 页码: 4694-4704
作者:
Lian, Z
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  |  
浏览/下载:18/0
  |  
提交时间:2018/12/25
propane dehydrogenation
kinetic Monte Carlo
density functional theory
platinum catalyst
coke
Revealing the Janus Character of the Coke Precursor in the Propane Direct Dehydrogenation on Pt Catalysts from a kMC Simulation
期刊论文
ACS CATALYSIS, 2018, 卷号: 8, 期号: 5, 页码: 4694-4704
作者:
Lian, Zan
;
Ali, Sajjad
;
Liu, TianFu
;
Si, Chaowei
;
Li, Bo
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浏览/下载:0/0
  |  
提交时间:2021/02/02
propane dehydrogenation
kinetic Monte Carlo
density functional theory
platinum catalyst
coke
Mechanistic Insights into Ethylene Transformations on Ir(111) by Density Functional Calculations and Microkinetic Modeling
期刊论文
CHEMPHYSCHEM, 2017, 卷号: 18, 期号: 8, 页码: 906-916
作者:
Shi, Xue-Rong
;
Kong, Haijuan
;
Wang, Shengguang
;
Wang, Hui
;
Qin, Zhangfeng
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  |  
浏览/下载:18/0
  |  
提交时间:2017/12/22
Carbon Monomers
Density Functional Theory
Ethylene
Ir(111)
Microkinetic Modeling
Significance of surface formate coverage on the reaction kinetics of methanol synthesis from CO2hydrogenation over Cu
期刊论文
ACS Catalysis, 2017, 卷号: 7, 期号: 10, 页码: 7187-7195
作者:
Wu, Panpan
;
Yang, Bo
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浏览/下载:11/0
  |  
提交时间:2018/12/29
Mechanistic Insights into Ethylene Transformations on Ir(111) by Density Functional Calculations and Microkinetic Modeling
期刊论文
Chemphyschem : a European journal of chemical physics and physical chemistry, 2017, 卷号: 18, 页码: 906-916
作者:
Shi Xue-Rong[1]
;
Kong Haijuan[2]
;
Wang Shengguang[3]
;
Wang Hui[4]
;
Qin Zhangfeng[5]
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  |  
浏览/下载:4/0
  |  
提交时间:2019/04/26
Ir(111)
carbon monomers
density functional theory
ethylene
microkinetic modeling
Curvature-Dependent Selectivity of CO2 Electrocatalytic Reduction on Cobalt Porphyrin Nanotubes
期刊论文
ACS CATALYSIS, 2016, 卷号: 6, 页码: 6294-6301
作者:
Zhu, Guizhi
;
Li, Yawei
;
Zhu, Haiyan
;
Su, Haibin
;
Chan, Siew Hwa
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  |  
浏览/下载:14/0
  |  
提交时间:2018/05/31
CO2 reduction
cobalt-porphyrin nanotubes
density functional theory
microkinetic modeling
electrocatalysis
Curvature-Dependent Selectivity of CO2 Electrocatalytic Reduction on Cobalt Porphyrin Nanotubes
期刊论文
ACS CATALYSIS, 2016
Zhu, Guizhi
;
Li, Yawei
;
Zhu, Haiyan
;
Su, Haibin
;
Chan, Siew Hwa
;
Sun, Qiang
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2017/12/04
CO2 reduction
cobalt-porphyrin nanotubes
density functional theory
microkinetic modeling
electrocatalysis
CO2-TO-CO ELECTROCHEMICAL CONVERSION
CARBON-DIOXIDE REDUCTION
METAL PHTHALOCYANINE
ORGANIC FRAMEWORKS
OXYGEN REDUCTION
HYDROCARBONS
CATALYSTS
ELECTRODE
COPPER
WATER
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