Ethanol Diffusion on Rutile TiO2(110) Mediated by H Adatoms

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• 作者：Peipei Huo ; Jonas 脴. Hansen ; Umberto Martinez ; Estephania Lira ; Regine Streber ; Yinying Wei ; Erik L忙gsgaard ; Bj酶rk Hammer ; Stefan Wendt ; Flemming Besenbacher
• 刊名：The Journal of Physical Chemistry Letters
• 出版年：2012
• 出版时间：February 2, 2012
• 年：2012
• 卷：3
• 期：3
• 页码：283-288
• 全文大小：422K
• 年卷期：v.3,no.3(February 2, 2012)
• ISSN：1948-7185

文摘

We have studied the diffusion of ethanol on rutile TiO₂(110)鈥?1 脳 1) by high-resolution scanning tunneling microscopy (STM) measurements and density functional theory (DFT) calculations. Time-lapsed STM images recorded at 200 K revealed the diffusion of ethanol molecules both parallel and perpendicular to the rows of surface Ti atoms. The diffusion of ethanol molecules perpendicular to the rows of surface Ti atoms was found to be mediated by H adatoms in the rows of bridge-bonded O (O_br) atoms similarly to previous results obtained for water monomers. In contrast, the diffusion of H adatoms across the Ti rows, mediated by ethanol molecules, was observed only very rarely and exclusively on fully hydrogenated TiO₂(110) surfaces. Possible reasons why the diffusion of H adatoms across the Ti rows mediated by ethanol molecules occurs less frequently than the cross-row diffusion of ethanol molecules mediated by H adatoms are discussed.

Keywords:

titanium dioxide (TiO₂); scanning tunneling microscopy (STM); catalysis; surface science; density functional theory (DFT); alcohols