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Diffusion of Formaldehyde on Rutile TiO2(110) Assisted by Surface Hydroxyl Groups
Da-wei Guan,Rui-min Wang,Xian-chi Jin,Dong-xu Dai,Zhi-bo Ma*,Hong-jun Fan*,Xue-ming Yang*
Author NameAffiliationE-mail
Da-wei Guan Shanghai Advanced Research Institute, Chinese Academy of Sciences, Shanghai 201210, China;State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Science, Dalian 116023, China;University of Chinese Academy of Science, Beijing 100049, China;School of Physical Science and Technology, ShanghaiTech University, Shanghai 201210, China  
Rui-min Wang State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Science, Dalian 116023, China;University of Chinese Academy of Science, Beijing 100049, China  
Xian-chi Jin State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Science, Dalian 116023, China;University of Chinese Academy of Science, Beijing 100049, China  
Dong-xu Dai State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Science, Dalian 116023, China  
Zhi-bo Ma* State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Science, Dalian 116023, China zhbma@dicp.ac.cn 
Hong-jun Fan* State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Science, Dalian 116023, China fanhj@dicp.ac.cn 
Xue-ming Yang* Shanghai Advanced Research Institute, Chinese Academy of Sciences, Shanghai 201210, China;State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Science, Dalian 116023, China;School of Physical Science and Technology, ShanghaiTech University, Shanghai 201210, China xmyang@dicp.ac.cn 
Abstract:
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.
Key words:  Diffusion  Desorption  Formaldehyde  Scanning tunneling microscope
FundProject:This work was supported by the Chinese Academy of Sciences,the National Natural Science Foundation of China (No.21225315,No.21173210,No.21673224 and No.21210004) and the Ministry of Science and Technology (No.2013CB834605 and No.2013CB834603).
表面羟基辅助甲醛分子在金红石型TiO2(110)表面迁移动力学研究
关大伟,王锐敏,金闲驰,戴东旭,马志博*,樊红军*,杨学明*
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DOI:10.1063/1674-0068/30/cjcp1703030
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