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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：51/0  |  Submit date：2022/07/01
Probing the reaction mechanism of acetylene hydrochlorination on metal-free doped boron nitride: Decisive role of carbon dopant 期刊论文
APPLIED SURFACE SCIENCE, 2021, 卷号: 566, 页码: 7
Authors:  Si, Chaowei;  Lian, Zan;  Yang, Min;  Li, Bo
Favorite  |  View/Download：87/0  |  Submit date：2021/11/22
Metal-free catalysis  Boron Nitride  DFT  Acetylene hydroclorination  Carbon doping  
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：48/0  |  Submit date：2021/10/15
propane dehydrogenation  Pt-based catalysis  coke formation  kinetics  promoter  
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：95/0  |  Submit date：2021/03/15
Metal-free catalyst  CO2 reduction  Co-doping, DFT  
Revealing the role of nitrogen dopants in tuning the electronic and optical properties of graphene quantum dots via a TD-DFT study 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2020, 卷号: 22, 期号: 48, 页码: 28230-28237
Authors:  Yang, Min;  Lian, Zan;  Si, Chaowei;  Li, Bo
Favorite  |  View/Download：86/0  |  Submit date：2021/03/15
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
Authors:  Lian, Zan;  Si, Chaowei;  Jan, Faheem;  Yang, Min;  Li, Bo
Favorite  |  View/Download：111/0  |  Submit date：2021/03/15
oxidative dehydrogenation  carbon catalysis  microkinetic modeling  radical reaction  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：81/0  |  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：76/0  |  Submit date：2021/02/02
Boron nitride  Oxidative dehydrogenation  Metal-free catalyst  Reaction mechanism  Density functional theory  
Critical Role of Interfacial Sites between Nickel and CeO2 Support in Dry Reforming of Methane: Revisit of Reaction Mechanism and Origin of Stability 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2020, 卷号: 124, 期号: 9, 页码: 5118-5124
Authors:  Lian, Zan;  Olanrele, Samson O.;  Si, Chaowei;  Yang, Min;  Li, Bo
Favorite  |  View/Download：61/0  |  Submit date：2021/02/02
Single Au Anion Can Catalyze Acetylene Hydrochlorination: Tunable Catalytic Performance from Rational Doping 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2019, 卷号: 123, 期号: 48, 页码: 29203-29208
Authors:  Ali, Sajjad;  Olanrele, Samson;  Liu, TianFu;  Lian, Zan;  Si, Chaowei;  Yang, Min;  Li, Bo
Favorite  |  View/Download：70/0  |  Submit date：2021/02/02