3 papers
cond-mat.mtrl-sci2025
Exploring the role of four-phonon scattering in the lattice thermal transport of LaMoN
Manjari Jain, Sanchi Monga, Saswata Bhattacharya
In this work, we systematically investigate the lattice thermal conductivity () of LaMoN in the 2/ and 3 phases using first-principles calculations combined wi…
cond-mat.mtrl-sci2024
Theoretical Insights into Inorganic Antiperovskite Nitrides (XNA; X = Mg, Sr, Ca, Ba; A = Sb, As): An Emerging Class of Materials for Photovoltaics
Sanchi Monga, Manjari Jain, Claudia Draxl +1
Antiperovskite nitrides are potential candidates for applications harvesting solar light. With a comprehensive state-of-the-art approach combining hybrid density-functional theory,…
cond-mat.mtrl-sci2023
Theoretical evaluation of oxynitride, oxyfluoride and nitrofluoride perovskites with promising photon absorption properties for solar water splitting
Manjari Jain, Deepika Gill, Sanchi Monga +1
Photocatalytic water splitting represents a very promising but at the same time very challenging contribution to a clean and renewable route to produce hydrogen fuel. Developing ef…