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学科主题物理化学
Stepwise Photocatalytic Dissociation of Methanol and Water on TiO2(110)
Guo, Qing1; Xu, Chenbiao1,3; Ren, Zefeng1; Yang, Wenshao1; Ma, Zhibo1; Dai, Dongxu1; Fan, Hongjun1; Minton, Timothy K.2; Yang, Xueming1; Fan HJ(樊红军); TimothyKMinton; Yang XM(杨学明)
刊名JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
2012-08-15
DOI10.1021/ja304049x
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
关键词[WOS]MINIMUM ENERGY PATHS ; ELASTIC BAND METHOD ; AB-INITIO ; TIO2 110 ; ELECTRON-TRANSFER ; TITANIUM-DIOXIDE ; SURFACE SCIENCE ; SADDLE-POINTS ; ADSORPTION ; PRINCIPLES
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.
语种英语
WOS记录号WOS:000307487200041
引用统计
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/118180
专题中国科学院大连化学物理研究所
通讯作者Fan HJ(樊红军); TimothyKMinton; Yang XM(杨学明)
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
推荐引用方式
GB/T 7714
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.
APA Guo, Qing.,Xu, Chenbiao.,Ren, Zefeng.,Yang, Wenshao.,Ma, Zhibo.,...&杨学明.(2012).Stepwise Photocatalytic Dissociation of Methanol and Water on TiO2(110).JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,134(32),13366-13373.
MLA Guo, Qing,et al."Stepwise Photocatalytic Dissociation of Methanol and Water on TiO2(110)".JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 134.32(2012):13366-13373.
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