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- W4226047282 abstract "Abstract Doping of Anatase TiO2 is a successful method to facilitate its photocatalytic activity to shift to the visible region. While noble metals in general can effectively slow down carrier recombination, the study of Pd doping in anatase TiO2 can unravel its potential as a visible light photocatalyst. Our first principles study indicate that the electronic structure is altered by the Pd 3d orbitals and bandgap narrowing is successively increased as dopant concentration of Pd is increased from 4.17% to 8.33% to 12.5%.Charge density plots of the doped systems indicate an electron cloud over the Pd- O bond which is now more covalent. In the visible region, absorption coefficient of Pd doped TiO2 supercell is around 1.2 x 10 −5 cm −1 which is comparatively greater than that of pure TiO2 confirming its utility as a versatile and viable visible light photocatalyst." @default.
- W4226047282 created "2022-05-05" @default.
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- W4226047282 date "2022-01-01" @default.
- W4226047282 modified "2023-10-18" @default.
- W4226047282 title "Bandgap Engineering of TiO<sub>2</sub> as Visible light Photocatalyst with Pd Doping Using First Principles" @default.
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- W4226047282 doi "https://doi.org/10.1088/1757-899x/1219/1/012041" @default.
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