Diffusion of Formaldehyde on Rutile TIO2（110） Assisted by Surface Hydroxyl Groups  

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

作　　者：关大伟[1,2,3,4] 王锐敏[2,3] 金闲驰 戴东旭[2] 马志博[2] 樊红军[2] 杨学明[1,2,4] 

机构地区：[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

出　　处：《Chinese Journal of Chemical Physics》2017年第3期253-258,I0001,共7页化学物理学报（英文）

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 irra- diation. 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 alatom near the HCHO molecule. Furthermore, single HCHO molecule adsorbed on the bare Ti02（l10） 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 

分 类 号：O[理学]