Diffusion of Formaldehyde on Rutile TiO2(110) Assisted by Surface Hydroxyl Groups

doi:10.1063/1674-0068/30/cjcp1703030

	Diffusion of Formaldehyde on Rutile TiO2(110) Assisted by Surface Hydroxyl Groups
	Guan, Da-wei1,2,3,4 ; Wang, Rui-min 2,3; Jin, Xian-chi 2,3; Dai, Dong-xu 2; Ma, Zhi-bo 2; Fan, Hong-jun 2; Yang, Xue-ming1,2,4
	2017-06
发表期刊	CHINESE JOURNAL OF CHEMICAL PHYSICS (IF:1.2[JCR-2023],1.1[5-Year])
ISSN	1674-0068
卷号	30 期号:3 页码:253-258
发表状态	已发表
DOI	10.1063/1674-0068/30/cjcp1703030
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	Diffusion Desorption Formaldehyde Scanning tunneling microscope
收录类别	SCI
语种	英语
资助项目	Ministry of Science and Technology[2013CB834605] ; Ministry of Science and Technology[2013CB834603]
WOS研究方向	Physics
WOS类目	Physics, Atomic, Molecular & Chemical
WOS记录号	WOS:000405446400003
出版者	CHINESE PHYSICAL SOC
WOS关键词	MINIMUM ENERGY PATHS ; ELASTIC BAND METHOD ; HYDROGEN-PRODUCTION ; PHOTOCATALYTIC DISSOCIATION ; TIO2 PHOTOCATALYSIS ; METHYL FORMATE ; SADDLE-POINTS ; ACTIVE-SITES ; X-1 SURFACE ; METHANOL
原始文献类型	Article
通讯作者	Ma, Zhi-bo ; Fan, Hong-jun ; Yang, Xue-ming
引用统计	正在获取...
文献类型	期刊论文
条目标识符	https://kms.shanghaitech.edu.cn/handle/2MSLDSTB/2917
专题	物质科学与技术学院物质科学与技术学院_特聘教授组_杨学明组物质科学与技术学院_硕士生
通讯作者	Ma, Zhi-bo; Fan, Hong-jun; Yang, Xue-ming
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
第一作者单位	物质科学与技术学院
通讯作者单位	物质科学与技术学院
推荐引用方式 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.