68 citations · 254 across the 9 of their papers we have counts for
9 papers
Chalcogenide Perovskites: An Emerging Class of Semiconductors for Optoelectronics
Pooja Basera, Saswata Bhattacharya
Chalcogenide perovskites have received considerable interest in photovoltaic research community owing to their stability (thermal and aqueous), non-toxicity and lead free compositi…
Capturing Excitonic Effects in Lead Iodide Perovskites from Many-Body Perturbation Theory
Pooja Basera, Arunima Singh, Deepika Gill +1
Lead iodide perovskites have attracted considerable interest in the upcoming photovoltaic technologies and optoelectronic devices. Therefore, an accurate theoretical description of…
Metastability Triggered Reactivity in Clusters at Realistic Conditions: A Case Study of N-doped (TiO) for Photocatalysis
Shikha Saini, Pooja Basera, Manish Kumar +2
Here we report a strategy, by taking a prototypical model system for photocatalysis (viz. N-doped (TiO) clusters), to accurately determine low energy metastable structures…
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…
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…
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.…