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Diffusion of Formaldehyde on Rutile TiO2(110) Assisted by Surface Hydroxyl Groups
Zhibo Ma
Author NameAffiliationE-mail
Zhibo Ma State Key Laboratory of Molecular Reaction Dynamics,Dalian Institute of Chemical Physics,Chinese Academy of Science zhbma@dicp.ac.cn 
Abstract:
As the product of methanol photo-dissociation on the TiO2 (110) surface, the diffusion and desorption processes of formaldehyde (HCHO) was 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 80K 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 is significantly decreased when there is only one H adatom near the HCHO molecule. Furthermore, single HCHO molecule adsorbed on the bare TiO2 (110) surface is 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:
Diffusion of Formaldehyde on Rutile TiO2(110) Assisted by Surface Hydroxyl Groups
马志博
摘要:
As the product of methanol photo-dissociation on the TiO2 (110) surface, the diffusion and desorption processes of formaldehyde (HCHO) was 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 80K 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 is significantly decreased when there is only one H adatom near the HCHO molecule. Furthermore, single HCHO molecule adsorbed on the bare TiO2 (110) surface is 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
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