DFT + U predictions: structural stability, electronic and optical properties, oxidation activity of BiOCl photocatalysts with 3d transition metals doping

2017/12/01 by Xiaochao Zhang, Jiabing Wei, Rui Li +4 · 1 citation
Energy · Materials Science · Engineering · #Advanced Photocatalysis Techniques #Electronic and Structural Properties of Oxides #Gas Sensing Nanomaterials and Sensors

paper · doi:10.1007/s10853-017-1865-0

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• Enhanced photocatalytic activities of transition metal-doped BiOCl catalysts: A DFT and experimental study