Review of Theoretical Research on Rutile TiO2(011) Surface

doi:10.3969/j.cnki.jdxb.2017.04.011

Abstract

Abstract:

The recent research on the rutile TiO₂（011) surface based on first-principles density function theory (DFT) calculations is reviewed.This review starts with the necessity of research on rutile TiO₂(011) and the research progress on its surface，introduces the electronic structure and the optical properties of its surface，and indicates that rutile TiO₂(011) surface has great responsiveness for visible light.Then，this review presents the vacancies and impurities of the rutile TiO₂(011)，indicating that the H adsorption and O vacancy on the rutile TiO₂(011) surface obviously enhance the optical absorptions in the infrared areas.On this basis，some theoretical data which cannot be obtained from conventional experiments are provided，which makes up for insufficient experiments in micro fields.Finally，the review indicates the research prospect.

Key words: rutile TiO₂(011) surface, density functional theory, electronic properties, optical properties

YUAN Feng，LU Shixiang. Review of Theoretical Research on Rutile TiO₂(011) Surface[J]. Journal of Jishou University（Natural Sciences Edition), DOI: 10.3969/j.cnki.jdxb.2017.04.011.

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Review of Theoretical Research on Rutile TiO₂(011) Surface

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