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

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	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
	Li, Jian 1; Fan, Jiangtao 1; Ali, Sajjad 2; Lan, Guojun 1; Tang, Haodong 1; Han, Wenfeng 1; Liu, Huazhang 1; Li, Bo 2; Li, Ying 1
刊名	CHINESE JOURNAL OF CATALYSIS
	2019-02-01
卷号	40 期号:2 页码:141-146
关键词	Mercury catalysts Thermal stability Defects Oxygen groups Acetylene hydrochlorination
ISSN号	0253-9837
通讯作者	Li, Bo(boli@imr.ac.cn) ; Li, Ying(liying@zjut.edu.cn)
英文摘要	Thermal stability of HgCl2 has a pivotal importance for the hydrochlorination reaction as the loss of mercuric compounds is toxic and detrimental to environment. Here we report a low-mercury catalyst which has durability over 10000 h for acetylene hydrochlorination under the industrial condition. The stability of the catalyst is carefully analyzed from a combined experimental and density functional theory study. The analysis shows that the extraordinary stability of mercury catalyst is resulted from the synergy effects between surface oxygen groups and defective edge sites. The binding energy of HgCl2 is increased to be higher than 130 kJ/mol when adsorption is at the edge site with a nearby oxygen group. Therefore, the present study revealed that the thermal stability problem of mercury-based catalyst can be solved by simply adjusting the surface chemistry of activated carbon. Furthermore, the reported catalyst has already been successfully applied in the commercialized production of vinyl chloride. (C) 2019, Dalian Institute of Chemical Physics, Chinese Academy of Sciences. Published by Elsevier B.V. All rights reserved.
资助项目	Qihe Investigation Company
WOS研究方向	Chemistry ; Engineering
语种	英语
出版者	SCIENCE PRESS
WOS记录号	WOS:000457815900001
资助机构	Qihe Investigation Company
内容类型	期刊论文
源URL	[http://ir.imr.ac.cn/handle/321006/131493]
专题	金属研究所_中国科学院金属研究所
通讯作者	Li, Bo; Li, Ying
作者单位	1.Zhejiang Univ Technol, Inst Ind Catalysis, Hangzhou 310014, Zhejiang, Peoples R China 2.Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, Shenyang 110016, Liaoning, Peoples R China
推荐引用方式 GB/T 7714	Li, Jian,Fan, Jiangtao,Ali, Sajjad,et al. 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[J]. CHINESE JOURNAL OF CATALYSIS,2019,40(2):141-146.
APA	Li, Jian.,Fan, Jiangtao.,Ali, Sajjad.,Lan, Guojun.,Tang, Haodong.,...&Li, Ying.(2019).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.CHINESE JOURNAL OF CATALYSIS,40(2),141-146.
MLA	Li, Jian,et al."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".CHINESE JOURNAL OF CATALYSIS 40.2(2019):141-146.