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金属研究所 [11]
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大连化学物理研究所 [3]
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新疆理化技术研究所 [1]
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期刊论文 [23]
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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
收藏
  |  
浏览/下载:26/0
  |  
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:52/0
  |  
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:26/0
  |  
提交时间:2021/02/02
acetylene hydrochlorination
defected carbon
density functional theory
metal-free catalyst
Progress and Challenges of Mercury-Free Catalysis for Acetylene Hydrochlorination
期刊论文
CATALYSTS, 2020, 卷号: 10, 期号: 10, 页码: 1-29
作者:
Liu, YX (Liu, Yanxia)[ 1,2,3 ]
;
Zhao, L (Zhao, Lin)[ 1 ]
;
Zhang, YG (Zhang, Yagang)[ 1,2,3 ]
;
Zhang, LT (Zhang, Letao)[ 3 ]
;
Zan, XJ (Zan, Xingjie)[ 3 ]
收藏
  |  
浏览/下载:52/0
  |  
提交时间:2020/12/07
vinyl chloride monomer
acetylene hydrochlorination
mercury-free catalysts
noble metal catalyst
non-noble metal catalyst
non-metallic catalysts
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
收藏
  |  
浏览/下载:10/0
  |  
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
收藏
  |  
浏览/下载:1/0
  |  
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
收藏
  |  
浏览/下载:8/0
  |  
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
收藏
  |  
浏览/下载:4/0
  |  
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
收藏
  |  
浏览/下载:2/0
  |  
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
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2021/02/02
Mercury catalysts
Thermal stability
Defects
Oxygen groups
Acetylene hydrochlorination
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