Article ID Journal Published Year Pages File Type
1690208 Vacuum 2013 7 Pages PDF
Abstract
► Ab-initio calculations were carried out for (Cr, N) codoped TiO2. ► In compensated (Cr, N) codoped models, individual defects bind each other. ► Compensated codoped model has stable structure and better optical properties. ► All doped models shifted the absorption edge of TiO2 towards visible light.
Keywords
Related Topics
Physical Sciences and Engineering Materials Science Surfaces, Coatings and Films
Preview
Ab-initio calculations of synergistic chromium-nitrogen codoping effects on the electronic and optical properties of anatase TiO2
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