3 papers
cond-mat.mtrl-sci2025
Density functional investigations on 2D-Be2C as an anode for alkali Metal-ion batteries
Hetvi Jadav, Sadhana Matth, Himanshu Pandey
Metal-ion batteries are in huge demand to cope with the increasing need for renewable energy, especially in automobiles. In this work, we apply first-principle calculations to exam…
cond-mat.mtrl-sci2025
Hexagonal BeX (X: S, Te) monolayer as potential electrode material for alkali metal-ion batteries: A DFT perspective
Hetvi Jadav, Sadhana Matth, Himanshu Pandey
Metal-ion batteries (MIBs) are essential for transitioning to a cleaner and more sustainable energy future. By employing the density functional formalism, we have investigated the…
cond-mat.mtrl-sci2025
Hydrogen Storage Potential of Chromium-Functionalized Graphene: A First-Principles Investigation
Pratyasha Tripathy, Hetvi Jadav, Himanshu Pandey
Sorbent materials, such as graphene-based systems coated with Cr, are being investigated as potential hydrogen storage materials. Graphene, a 2D material with a high surface-to-vol…