15 citations · 15 across the 3 of their papers we have counts for
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Lead Free Alloyed Double Perovskites: An Emerging Class of Materials from Many-Body Perturbation Theory
Manjari Jain, Manish Kumar, Preeti Bhumla +1
The discovery of lead free all-inorganic alloyed double perovskites have revolutionized photovoltaic research, showing promising light emitting efficiency and its tunability. Howev…
Optoelectronic Properties of Chalcogenide Perovskites by Many-Body Perturbation Theory
Manish Kumar, Arunima Singh, Deepika Gill +1
Chalcogenide perovskites have emerged as non-toxic and stable photovoltaic materials, acting as an alternative to lead halide hybrid perovskites having similar optoelectronic prope…
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…
Sublattice mixing in CsAgInCl for enhanced optical properties from first-principles
Manish Kumar, Manjari Jain, Arunima Singh +1
Lead-free double perovskite materials (viz. CsAgInCl) are being explored as stable and non-toxic alternatives of lead halide perovskites. In order to expand the optical res…
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…