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cond-mat.mtrl-sci2019★ 48 cited
Role of Defects in Photocatalytic Water Splitting: Monodoped vs Codoped SrTiO
Manish Kumar, Pooja Basera, Shikha Saini +1
Using the hybrid density functional theory and \textit{ab initio} atomistic thermodynamics, we report monodoping of non-metal (N) or metal (Mn) in SrTiO can induce visible ligh…
cond-mat.mtrl-sci2019★ 42 cited
Self energy and excitonic effect in (un)doped TiO anatase : A comparative study of hybrid DFT, GW and BSE to explore optical properties
Pooja Basera, Shikha Saini, Saswata Bhattacharya
TiO anatase has its significant importance in energy and environmental research. However, the major drawback of this immensely popular semi-conductor is its large bandgap of 3.…