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题名: Diffusion of Formaldehyde on Rutile TiO2(110) Assisted by Surface Hydroxyl Groups
作者: Guan, Da-wei1, 2, 3, 4;  Wang, Rui-min2, 3;  Jin, Xian-chi2, 3;  Dai, Dong-xu2;  Ma, Zhi-bo2;  Fan, Hong-jun2;  Yang, Xue-ming1, 2, 4
关键词: Diffusion ;  Desorption ;  Formaldehyde ;  Scanning tunneling microscope
刊名: CHINESE JOURNAL OF CHEMICAL PHYSICS
发表日期: 2017-06-01
DOI: 10.1063/1674-0068/30/cjcp1703030
卷: 30, 期:3, 页:253-258
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Physics
英文摘要: As the photo-dissociation product of methanol on the TiO2(110) surface, the diffusion and desorption processes of formaldehyde (HCHO) were investigated by using scanning tunneling microscope (STM) and density functional theory (DFT). The molecular-level images revealed the HCHO molecules could diffuse and desorb on the surface at 80 K under UV laser irradiation. The diffusion was found to be mediated by hydrogen adatoms nearby, which were produced from photodissociation of methanol. Diffusion of HCHO was significantly decreased when there was only one H adatom near the HCHO molecule. Furthermore, single HCHO molecule adsorbed on the bare TiO2(110) surface was quite stable, little photo-desorption was observed during laser irradiation. The mechanism of hydroxyl groups assisted diffusion of formaldehyde was also investigated using theoretical calculations.
关键词[WOS]: MINIMUM ENERGY PATHS ;  ELASTIC BAND METHOD ;  HYDROGEN-PRODUCTION ;  PHOTOCATALYTIC DISSOCIATION ;  TIO2 PHOTOCATALYSIS ;  METHYL FORMATE ;  SADDLE-POINTS ;  ACTIVE-SITES ;  X-1 SURFACE ;  METHANOL
语种: 英语
WOS记录号: WOS:000405446400003
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/152046
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.Chinese Acad Sci, Shanghai Adv Res Inst, Shanghai 201210, Peoples R China
2.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
3.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
4.ShanghaiTech Univ, Sch Phys Sci & Technol, Shanghai 201210, Peoples R China

Recommended Citation:
Guan, Da-wei,Wang, Rui-min,Jin, Xian-chi,et al. Diffusion of Formaldehyde on Rutile TiO2(110) Assisted by Surface Hydroxyl Groups[J]. CHINESE JOURNAL OF CHEMICAL PHYSICS,2017,30(3):253-258.
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