<> "The repository administrator has not yet configured an RDF license."^^ . <> . . . "First Principle DFT + U Calculations for the Optoelectronic Properties of Cu and C-Cu co-doped TiO2Anatase Model"^^ . "The metal-cations and non-metal anions mono-doped titanium dioxide (TiO2) systems have shown limited success as an efficient photocatalyst for various photocatalytic applications. Instead, the co-doping of TiO2with metal and non-metal dopants is transpired as an effective doping approach to reduce the wide bandgap of the TiO2and harvest a greater amount of the visible solar spectrum. Herein, a computational study was systematically performed to develop an efficient carbon-copper (C-Cu) co-doped TiO2anatase system and compared its optoelectronic characteristics with the copper (Cu) mono-doped TiO2system. The structural properties simulated with Perdew-Burke-Ernzerhof assisted generalized gradient approximation (GGA + PBE) whereas the electronic and optical properties with Hubbard's modified (GGA + U) approximation. The electronic band structure and density of states plots display reduced bandgap energy of 2.30 eV for the C-Cu co-doped TiO2anatase model in comparison to Cu mono-doped TiO2anatase model. Moreover, the absorption spectra display a redshift of the optical absorption edge up to 515 nm for the co-doped system. Overall, the DFT work provide clear insights and predictions that the C-Cu co-doped TiO2anatase model has an efficient bandgap narrowing with a significant redshift of the optical absorption edge in comparison to Cu mono-doped TiO2model. © 2022 Chemical Publishing Co.. All rights reserved."^^ . "2022" . . "34" . "7" . . "Asian Publication Corporation"^^ . . . "Asian Journal of Chemistry"^^ . . . "09707077" . . . . . . . . . . . . . . . . "U."^^ . "Ghani"^^ . "U. Ghani"^^ . . "N.M."^^ . "Mohamed"^^ . "N.M. Mohamed"^^ . . "F."^^ . "Ullah"^^ . "F. Ullah"^^ . . "M.S.M."^^ . "Saheed"^^ . "M.S.M. Saheed"^^ . . . . . "HTML Summary of #16607 \n\nFirst Principle DFT + U Calculations for the Optoelectronic Properties of Cu and C-Cu co-doped TiO2Anatase Model\n\n" . "text/html" . .