5 citations · 10 across the 7 of their papers we have counts for
9 papers
High-throughput screening of Heusler alloys for thermoelectrics combining machine-learned densities of states and first-principles transport
Shivam Randive, Ayana Ghosh, Rahul Dixit +1
Thermoelectrics turn waste heat into electricity, but finding new ones requires transport calculations too costly for whole databases. Searches therefore choose what to calculate f…
Ab-initio Investigation on h-Be3N2 Monolayer for Photocatalytic Hydrogen Evolution Reaction and Oxygen Evolution Reaction
Karan Patel, Hetvi Jadav, Himanshu Pandey
In this work, we have systematically investigated the structural stability, electronic properties, and photocatalytic performance of the 2D h-Be3N2 monolayer for water splitting ap…
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…
Investigation on Structural, Optical, Thermal, and Magnetic Properties of Bismuth Ferrite Nanoparticles Synthesized at Lower Annealing Temperature
Naresh Prajapati, G. Surya Prakash, Manoj Kumar +1
Due to its multiferroic properties and narrow optical bandgap, Bismuth ferrite has been widely explored for spintronics, photovoltaics, and photocatalysis applications. Bismuth fer…
White LED-based photocatalytic treatment using recoverable cobalt ferrite nanoparticles
Naresh Prajapati, Manoj Kumar, Vidit Pandey +2
Contamination of freshwater sources has been alarming due to the widespread use of toxic chemicals in various industries. Advanced oxidation processes (AOPs) such as photocatalysis…
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…
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…