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

doi:10.1103/PhysRevLett.101.156103

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 journal › Article › peer-review

32 Scopus citations

Abstract

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 language	English
Article number	156103
Journal	Physical Review Letters
Volume	101
Issue number	15
DOIs	https://doi.org/10.1103/PhysRevLett.101.156103
State	Published - Oct 8 2008
Externally published	Yes

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10.1103/PhysRevLett.101.156103

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title = "Vacancy-assisted diffusion of alkoxy species on rutile TiO2(110)",

abstract = "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.",

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AU - Zhang, Zhenrong

AU - Rousseau, Roger

AU - Gong, Jinlong

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AU - Kay, Bruce D.

AU - Ge, Qingfeng

AU - Dohnálek, Zdenek

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AB - 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.

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

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