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学科主题: 物理化学
题名: Stepwise Photocatalytic Dissociation of Methanol and Water on TiO2(110)
作者: Guo, Qing1;  Xu, Chenbiao1, 3;  Ren, Zefeng1;  Yang, Wenshao1;  Ma, Zhibo1;  Dai, Dongxu1;  Fan, Hongjun1;  Minton, Timothy K.2;  Yang, Xueming1
通讯作者: 樊红军 ;  TimothyKMinton ;  杨学明
刊名: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
发表日期: 2012-08-15
DOI: 10.1021/ja304049x
卷: 134, 期:32, 页:13366-13373
收录类别: SCI
文章类型: Article
部门归属: 11
项目归属: 1102
产权排名: 1,1
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Multidisciplinary
研究领域[WOS]: Chemistry
英文摘要: We have investigated the photocatalysis of partially deuterated methanol (CD3OH) and H2O on TiO2(110) at 400 nm using a newly developed photocatalysis apparatus in combination with theoretical calculations. Photocatalyzed products, CD2O on Ti-sc sites, and H and D atoms on bridge-bonded oxygen (BBO) sites from CD3OH have been clearly detected, while no evidence of H2O photocatalysis was found. The experimental results show that dissociation of CD3OH on TiO2(110) occurs in a stepwise manner in which the O-H dissociation proceeds first and is then followed by C-D dissociation. Theoretical calculations indicate that the high reverse barrier to C-D recombination and the facile desorption of CD2O make photocatalytic methanol dissociation on TiO2(110) proceed efficiently. Theoretical results also reveal that the reverse reactions, i.e, O-H recombination after H2O photocatalytic dissociation on TiO2(110), may occur easily, thus inhibiting efficient photocatalytic water splitting.
关键词[WOS]: MINIMUM ENERGY PATHS ;  ELASTIC BAND METHOD ;  AB-INITIO ;  TIO2 110 ;  ELECTRON-TRANSFER ;  TITANIUM-DIOXIDE ;  SURFACE SCIENCE ;  SADDLE-POINTS ;  ADSORPTION ;  PRINCIPLES
语种: 英语
WOS记录号: WOS:000307487200041
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/118180
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Liaoning, Peoples R China
2.Montana State Univ, Dept Chem & Biochem, Bozeman, MT 59717 USA
3.Dalian Univ Technol, Sch Phys & Optoelect Engn, Dalian 59717, Liaoning, Peoples R China

Recommended Citation:
Guo, Qing,Xu, Chenbiao,Ren, Zefeng,et al. Stepwise Photocatalytic Dissociation of Methanol and Water on TiO2(110)[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,2012,134(32):13366-13373.
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