Small and large polarons in TiO2 rutile and anatase surfaces

来源 :1st International Conference on Computational Design and Sim | 被引量 : 0次 | 上传用户:a395744775
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  TiO2 is a prototypical metal oxide and used in (photo)catalysis, photosensitized solar cells, and transparent conductive oxides.Industrially two forms of TiO2 are used, rutile and anatase.The behavior of charge carriers is of key importance in virtually all applications of these materials.When excess electrons are added to the conduction band of an oxide, the electron-phonon interaction may favor electron trapping, which can result in the formation of either localized (small) or delocalized (large) polarons depending on the strength of the electron-phonon coupling.
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