4 papers
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…
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…
Electronic structure and thermoelectric properties of CoTiSi half-Heusler alloy: Doping overtones
A. Shukla, Sadhana Matth, Raghavendra Pal +2
The quest for thermoelectric materials with high figures of merit is an ongoing and significant area of research. In this study, we investigate the thermoelectric properties of the…
High-Performance Thermoelectric Properties of Half-Heusler CoHfSi: A First-Principles Study with Temperature-Dependent Relaxation Time
Sadhana Matth, S. Pandey, Himanshu Pandey
In the ongoing search for innovative thermoelectric (TE) materials with superior TE performance globally, we aim to investigate the possible use of half-Heusler alloy CoHfSi in TE…