Stepwise Photocatalytic Dissociation of Methanol and Water on TiO2(110)
文献类型：期刊论文
| 作者 | Guo, Qing1; Xu, Chenbiao1,3; Ren, Zefeng1; Yang, Wenshao1; Ma, Zhibo1; Dai, Dongxu1; Fan, Hongjun1; Minton, Timothy K.2; Yang, Xueming1 |
| 刊名 | journal of the american chemical society
 |
| 出版日期 | 2012-08-15 |
| 卷号 | 134期号:32页码:13366-13373 |
| 产权排序 | 1,1 |
| 通讯作者 | 樊红军 ; timothykminton ; 杨学明 |
| 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. |
| WOS标题词 | science & technology ; physical sciences |
| 学科主题 | 物理化学 |
| 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 |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000307487200041 |
| 公开日期 | 2013-10-11 |
| 源URL | [http://159.226.238.44/handle/321008/118180]  |
| 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 |
| 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.,...&Yang, Xueming.(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. |
入库方式： OAI收割
来源：大连化学物理研究所
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