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Diffusion of Formaldehyde on Rutile TiO2(110) Assisted by Surface Hydroxyl Groups
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
KeywordDiffusion Desorption Formaldehyde Scanning Tunneling Microscope
Source PublicationCHINESE JOURNAL OF CHEMICAL PHYSICS
2017-06-01
DOI10.1063/1674-0068/30/cjcp1703030
Volume30Issue:3Pages:253-258
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectPhysics, Atomic, Molecular & Chemical
WOS Research AreaPhysics
WOS KeywordMINIMUM ENERGY PATHS ; ELASTIC BAND METHOD ; HYDROGEN-PRODUCTION ; PHOTOCATALYTIC DISSOCIATION ; TIO2 PHOTOCATALYSIS ; METHYL FORMATE ; SADDLE-POINTS ; ACTIVE-SITES ; X-1 SURFACE ; METHANOL
AbstractAs 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.
Language英语
WOS IDWOS:000405446400003
Citation statistics
Cited Times:1[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/152046
Collection中国科学院大连化学物理研究所
Affiliation1.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
GB/T 7714
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.
APA Guan, Da-wei.,Wang, Rui-min.,Jin, Xian-chi.,Dai, Dong-xu.,Ma, Zhi-bo.,...&Yang, Xue-ming.(2017).Diffusion of Formaldehyde on Rutile TiO2(110) Assisted by Surface Hydroxyl Groups.CHINESE JOURNAL OF CHEMICAL PHYSICS,30(3),253-258.
MLA Guan, Da-wei,et al."Diffusion of Formaldehyde on Rutile TiO2(110) Assisted by Surface Hydroxyl Groups".CHINESE JOURNAL OF CHEMICAL PHYSICS 30.3(2017):253-258.
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