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Diffusion of Formaldehyde on Rutile TiO2(110) Assisted by Surface Hydroxyl Groups
Da-wei Guan1,2,3,4, Rui-min Wang2,3, Xian-chi Jin2,3, Dong-xu Dai2, Zhi-bo Ma2, Hong-jun Fan2, Xue-ming Yang1,2,4
1.Shanghai Advanced Research Institute, Chinese Academy of Sciences, Shanghai 201210, China;2.State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Science, Dalian 116023, China;3.University of Chinese Academy of Science, Beijing 100049, China;4.School of Physical Science and Technology, ShanghaiTech University, Shanghai 201210, China
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1,2,3,4, 王锐敏2,3, 金闲驰2,3, 戴东旭2, 马志博2, 樊红军2, 杨学明1,2,4
1.中国科学院上海高等研究院, 上海 201210;2.中国科学院大连化学物理研究所, 分子反应动力学国家重点实验室, 大连 116023;3.中国科学院大学, 北京 100049;4.上海科技大学物质学院, 上海 201210
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DOI:10.1063/1674-0068/30/cjcp1703030
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