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Structural, electronic, optical properties and molecular dynamics study of WO3 W0.97Ag0.03O3 and W0.94Ag0.06O3 photocatalyst by the first principle of DFT study

Abdullah Al Mamun, Monsur Alam, Ahsan Habib, Unesco Chakma, M.A. Mokit Sikder, Ajoy Kumer
Egyptian Journal of Chemistry ; doi:10.21608/ejchem.2021.66630.3433

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Keywords: modelling / WO3 / optical properties / photocatalyst / Ag doped / Structural / treatment / function / gap

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