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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
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Metal-free catalysis  Boron Nitride  DFT  Acetylene hydroclorination  Carbon doping  
Single Au atom supported defect mediated boron nitride monolayer as an efficient catalyst for acetylene hydrochlorination: A first principles study 期刊论文
MOLECULAR CATALYSIS, 2021, 卷号: 511, 页码: 9
Authors:  Ali, Sajjad;  Haneef, Muhammad;  Akbar, Jehan;  Ullah, Izaz;  Ullah, Sami;  Samad, Abdus
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Defects  hexagonal boron nitride  single Au catalyst  acetylene hydrochlorination  DFT  
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
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single-atom catalyst  graphdiyne  acetylene hydrochlorination  reaction mechanism  density functional theory  
A structured catalyst with high dispersity of Au species based on hollow SiC foam with porous walls for acetylene hydrochlorination 期刊论文
RSC ADVANCES, 2021, 卷号: 11, 期号: 32, 页码: 19819-19826
Authors:  Wang, Peng;  Yang, Xiaodan;  Zhang, Ye;  Gao, Yong;  Zhang, Jinsong
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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
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acetylene hydrochlorination  defected carbon  density functional theory  metal-free catalyst  
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
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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
Screening of active center and reactivity descriptor in acetylene hydrochlorination on metal-free doped carbon catalysts from first principle calculations 期刊论文
APPLIED SURFACE SCIENCE, 2019, 卷号: 478, 页码: 574-580
Authors:  Ali, Sajjad;  Qiu, YiYang;  Lian, Zan;  Olanrele, Samson;  Lan, GuoJun;  Li, Ying;  Su, Dang Sheng;  Li, Bo
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Metal free catalyst  Dopants  Acetylene hydrochlorination  Density functional theory  
Screening of active center and reactivity descriptor in acetylene hydrochlorination on metal-free doped carbon catalysts from first principle calculations 期刊论文
APPLIED SURFACE SCIENCE, 2019, 卷号: 478, 页码: 574-580
Authors:  Ali, Sajjad;  Qiu, YiYang;  Lian, Zan;  Olanrele, Samson;  Lan, GuoJun;  Li, Ying;  Su, Dang Sheng;  Li, Bo
Favorite  |  View/Download：60/0  |  Submit date：2021/02/02
Metal free catalyst  Dopants  Acetylene hydrochlorination  Density functional theory  
Screening of active center and reactivity descriptor in acetylene hydrochlorination on metal-free doped carbon catalysts from first principle calculations 期刊论文
APPLIED SURFACE SCIENCE, 2019, 卷号: 478, 页码: 574-580
Authors:  Ali, Sajjad;  Qiu, YiYang;  Lian, Zan;  Olanrele, Samson;  Lan, GuoJun;  Li, Ying;  Su, Dang Sheng;  Li, Bo
Favorite  |  View/Download：76/0  |  Submit date：2021/02/02
Metal free catalyst  Dopants  Acetylene hydrochlorination  Density functional theory