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• W3149267458 abstract "Hydrogenation has been recently developed as an approach to improve the visible-light response of titanium dioxide(TiO2);however,the effect of hydrogenation on the electronics and optical absorption of anatase TiO2has been widely debated.In this work,the electronic structures and optical properties of hydrogenated TiO2and its interaction with water have been studied using the density functional theory plus Hubbard model.A comparison of the effect of hydrogenation and introduction of oxygen vacancies(OVs)to TiO2is presented.It is found that both hydrogenation and OVs can promote the absorption of visible light and strengthen the adsorption of water.Compared with OVs,hydrogen incorporation can lead to local distortion and even amorphous structures when it is heavily doped." @default.
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• W3149267458 date "2014-01-01" @default.
• W3149267458 modified "2023-09-23" @default.
• W3149267458 title "Comparison of the effect of hydrogen incorporation and oxygen vacancies on the properties of anatase TiO2： electronics, optical absorption, and interaction with water" @default.
• W3149267458 hasPublicationYear "2014" @default.
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