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Ethanol and Acetaldehyde Decomposition on Co(0001): The Effect of Hydrogen Atom on C-O Bond Scission

文献类型：期刊论文

作者Chen, Jun1,2; Guo, Qing1,3; Wu, Jiawei1; Dai, Dongxu1; Chen, Maodu2; Yang, Xueming1
刊名JOURNAL OF PHYSICAL CHEMISTRY C
出版日期2019-08-08
卷号123期号:31页码:19045-19051
ISSN号1932-7447
DOI10.1021/acs.jpcc.9b04845
通讯作者Guo, Qing(guoqing@dicp.ac.cn) ; Yang, Xueming(xmyang@dicp.ac.cn)
英文摘要Fischer-Tropsch synthesis (FTS) with Co-based catalysts has attracted renewed interest in recent years due to its potential applications to produce transportation fuels. However, experimental investigations about the FT mechanism at the atomic level, especially for the essential C-O bond scission step, are rarely carried out. Using the temperature-programmed desorption method, we have investigated the mechanism of C-O bond scission in the decomposition of ethanol (C2H5OH) and acetaldehyde (CH3CHO). We have clearly found that the H atom attached to the C-end of the CO molecule is significant for C-O bond scission accompanied by CH3 at the C-end. Otherwise, C-C bond scission will occur facilely if only a CH3 group is attached to the C-end of the CO molecule. These results indicate that CH3CHO may be an important intermediate in FTS for C-O bond scission to produce C2Hx or for C-2+( )oxygenate production. Moreover, the H atoms on the Co(0001) surface could largely inhibit the dehydrogenation of the H atom at the C-end of CO, leading to an enhancement of C-O bond scission. The results for the first time demonstrate that, except the CH3 radical at the C-end of the CO molecule, an additional H atom at the C-end of the CO molecule and the surface H atoms play vital roles in promoting the C-O bond scission in the FT process as well.
WOS关键词FISCHER-TROPSCH SYNTHESIS ; CARBON-MONOXIDE ; SURFACES ; MECHANISM ; DISSOCIATION ; ACTIVATION ; ADSORPTION ; 1ST-PRINCIPLES ; CHEMISORPTION ; OXIDATION
资助项目National Natural Science Foundation of China[21673235] ; Strategic Priority Research Program of Chinese Academy of Sciences[XDB17000000] ; Youth Innovation Promotion Association CAS
WOS研究方向Chemistry ; Science & Technology - Other Topics ; Materials Science
语种英语
出版者AMER CHEMICAL SOC
WOS记录号WOS:000480502300030
资助机构National Natural Science Foundation of China ; National Natural Science Foundation of China ; Strategic Priority Research Program of Chinese Academy of Sciences ; Strategic Priority Research Program of Chinese Academy of Sciences ; Youth Innovation Promotion Association CAS ; Youth Innovation Promotion Association CAS ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Strategic Priority Research Program of Chinese Academy of Sciences ; Strategic Priority Research Program of Chinese Academy of Sciences ; Youth Innovation Promotion Association CAS ; Youth Innovation Promotion Association CAS ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Strategic Priority Research Program of Chinese Academy of Sciences ; Strategic Priority Research Program of Chinese Academy of Sciences ; Youth Innovation Promotion Association CAS ; Youth Innovation Promotion Association CAS ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Strategic Priority Research Program of Chinese Academy of Sciences ; Strategic Priority Research Program of Chinese Academy of Sciences ; Youth Innovation Promotion Association CAS ; Youth Innovation Promotion Association CAS
源URL[http://cas-ir.dicp.ac.cn/handle/321008/173439]  
专题大连化学物理研究所_中国科学院大连化学物理研究所
通讯作者Guo, Qing; Yang, Xueming
作者单位1.Dalian Inst Chem Phys, State Key Lab Mol React Dynam, 457 Zhongshan Rd, Dalian 116023, Liaoning, Peoples R China
2.Dalian Univ Technol, Key Lab Mat Modificat Laser Electron & Ion Beams, Minist Educ, Sch Phys, Dalian 116023, Liaoning, Peoples R China
3.Southern Univ Sci & Technol, Dept Chem, Shenzhen 518055, Guangdong, Peoples R China
推荐引用方式
GB/T 7714		 Chen, Jun,Guo, Qing,Wu, Jiawei,et al. Ethanol and Acetaldehyde Decomposition on Co(0001): The Effect of Hydrogen Atom on C-O Bond Scission[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2019,123(31):19045-19051.
APA Chen, Jun,Guo, Qing,Wu, Jiawei,Dai, Dongxu,Chen, Maodu,&Yang, Xueming.(2019).Ethanol and Acetaldehyde Decomposition on Co(0001): The Effect of Hydrogen Atom on C-O Bond Scission.JOURNAL OF PHYSICAL CHEMISTRY C,123(31),19045-19051.
MLA Chen, Jun,et al."Ethanol and Acetaldehyde Decomposition on Co(0001): The Effect of Hydrogen Atom on C-O Bond Scission".JOURNAL OF PHYSICAL CHEMISTRY C 123.31(2019):19045-19051.

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来源：大连化学物理研究所

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