15 citations · 15 across the 1 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2020★ 15 cited
Theoretical insights of codoping to modulate electronic structure of TiO and SrTiO for enhanced photocatalytic efficiency
Manish Kumar, Pooja Basera, Shikha Saini +1
TiO and SrTiO are well known materials in the field of photocatalysis due to their exceptional electronic structure, high chemical stability, non-toxicity and low cost. How…
cond-mat.mtrl-sci2019
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
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.…