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Showing 1 to 1 of 1 for “"First principle densityfunctional theory"”.
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Computational study of low index surface of an anatase TiO2 doped with ruthenium (Ru) and strontium (sr) for application in Dye sensitized solar cells
… sensitized solar cells (DSSCs). In this study, first principle density functional theory was used to investigate electronic and optical properties of bulk anatase TiO2, undoped, and ruthenium (Ru) and strontium (Sr) doped anatase TiO2 (1 0 0) surface. Two different doping approaches i.e., …