121 citations · 477 across the 17 of their papers we have counts for
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MoS and Janus (MoSSe) Based 2D van der Waals heterostructures: Emerging Direct Z-scheme Photocatalysts
Arunima Singh, Manjari Jain, Saswata Bhattacharya
Two-dimensional (2D) materials viz. transition metal dichalcogenides (TMD) and transition metal oxides (TMO) offer a platform that allows creation of heterostructures with a variet…
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…
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…
Impact of Aliovalent Alkaline-Earth Metal Solutes on Ceria Grain Boundaries: A Density Functional Theory Study
Tara M. Boland, Peter Rez, Peter A. Crozier +1
Ceria has proven to be an excellent ion-transport and ion-exchange material when used in polycrystalline form and with a high-concentration of aliovalent doped cations. Despite its…