Vacancy-assisted diffusion of alkoxy species on rutile TiO2(110)

Zhenrong Zhang, Roger Rousseau, Jinlong Gong, Shao Chun Li, Bruce D. Kay, Qingfeng Ge, Zdenek Dohnálek

Research output: Contribution to journalArticlepeer-review

29 Citations (Scopus)


Using scanning tunneling microscopy (STM) and density functional theory simulations, we have studied the diffusion of alkoxy species formed by the dissociation of alcohols on bridge-bonded oxygen (BBO) vacancies (BBOV's) on TiO2(110). At elevated temperatures (400K) the sequential isothermal STM images show that mobile BBOV's mediate the diffusion of alkoxy species by providing space for alkyl-group-bearing BBO atom to diffuse into. The experimental findings are further supported by simulations that find that BBOV diffusion is the rate limiting step in the overall diffusion mechanism.

Original languageEnglish
Article number156103
JournalPhysical review letters
Issue number15
Publication statusPublished - Oct 8 2008

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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