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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
作者:  Ali, Sajjad;  Haneef, Muhammad;  Akbar, Jehan;  Ullah, Izaz;  Ullah, Sami;  Samad, Abdus
收藏  |  浏览/下载：139/0  |  提交时间：2021/11/22
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
作者:  Ali, Sajjad;  Lian, Zan;  Li, Bo
收藏  |  浏览/下载：124/0  |  提交时间：2021/10/15
single-atom catalyst  graphdiyne  acetylene hydrochlorination  reaction mechanism  density functional theory  
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
收藏  |  浏览/下载：148/0  |  提交时间：2021/02/02
acetylene hydrochlorination  defected carbon  density functional theory  metal-free catalyst  
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
作者:  Ali, Sajjad;  Qiu, YiYang;  Lian, Zan;  Olanrele, Samson;  Lan, GuoJun;  Li, Ying;  Su, Dang Sheng;  Li, Bo
收藏  |  浏览/下载：123/0  |  提交时间：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
作者:  Ali, Sajjad;  Qiu, YiYang;  Lian, Zan;  Olanrele, Samson;  Lan, GuoJun;  Li, Ying;  Su, Dang Sheng;  Li, Bo
收藏  |  浏览/下载：120/0  |  提交时间：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
作者:  Ali, Sajjad;  Qiu, YiYang;  Lian, Zan;  Olanrele, Samson;  Lan, GuoJun;  Li, Ying;  Su, Dang Sheng;  Li, Bo
收藏  |  浏览/下载：140/0  |  提交时间：2021/02/02
Metal free catalyst  Dopants  Acetylene hydrochlorination  Density functional theory  
The origin of the extraordinary stability of mercury catalysts on the carbon support: the synergy effects between oxygen groups and defects revealed from a combined experimental and DFT study 期刊论文
CHINESE JOURNAL OF CATALYSIS, 2019, 卷号: 40, 期号: 2, 页码: 141-146
作者:  Li, Jian;  Fan, Jiangtao;  Ali, Sajjad;  Lan, Guojun;  Tang, Haodong;  Han, Wenfeng;  Liu, Huazhang;  Li, Bo;  Li, Ying
收藏  |  浏览/下载：97/0  |  提交时间：2021/02/02
Mercury catalysts  Thermal stability  Defects  Oxygen groups  Acetylene hydrochlorination  
The origin of the extraordinary stability of mercury catalysts on the carbon support: the synergy effects between oxygen groups and defects revealed from a combined experimental and DFT study 期刊论文
CHINESE JOURNAL OF CATALYSIS, 2019, 卷号: 40, 期号: 2, 页码: 141-146
作者:  Li, Jian;  Fan, Jiangtao;  Ali, Sajjad;  Lan, Guojun;  Tang, Haodong;  Han, Wenfeng;  Liu, Huazhang;  Li, Bo;  Li, Ying
收藏  |  浏览/下载：119/0  |  提交时间：2021/02/02
Mercury catalysts  Thermal stability  Defects  Oxygen groups  Acetylene hydrochlorination  
The origin of the extraordinary stability of mercury catalysts on the carbon support: the synergy effects between oxygen groups and defects revealed from a combined experimental and DFT study 期刊论文
CHINESE JOURNAL OF CATALYSIS, 2019, 卷号: 40, 期号: 2, 页码: 141-146
作者:  Li, Jian;  Fan, Jiangtao;  Ali, Sajjad;  Lan, Guojun;  Tang, Haodong;  Han, Wenfeng;  Liu, Huazhang;  Li, Bo;  Li, Ying
收藏  |  浏览/下载：97/0  |  提交时间：2021/02/02
Mercury catalysts  Thermal stability  Defects  Oxygen groups  Acetylene hydrochlorination  
Hydrochlorination of Acetylene Using SiC Foam Supported Structured C/Au Catalysts 期刊论文
Journal of Materials Science & Technology, 2014, 卷号: 30, 期号: 5, 页码: 434-440
作者:  X. D. Yang;  C. H. Jiang;  Z. M. Yang;  J. S. Zhang
收藏  |  浏览/下载：147/0  |  提交时间：2014/07/03
Structured Catalysts  Acetylene Hydrochlorination  Silicon Carbide  Foams  Carbon Coating  Heterogeneous Reaction  Vapor-phase Hydrochlorination  Activated Carbon  Deactivation  Mechanisms  Coatings