16 citations · 35 across the 6 of their papers we have counts for
6 papers
Electrochemical Performance of Gold Monolayers for Lithium-Ion Batteries: A First Principles Study
Ajay Kumar, Pritam Samanta, Prakash Parida
Being motivated by recent synthesis of a monolayer of gold, named goldene, from the nano-laminated ternary ceramic phase of Ti3AuC2, we are proposing two phases of goldene viz. gol…
Enhanced thermopower in two-dimensional ruthenium dichalcogenides (X = S, Se): a first-principles study
Parbati Senapati, Ajay Kumar, Prakash Parida
Transition metal dichalcogenides (TMDs) have garnered attention for their potential in thermoelectric applications due to their unique electronic properties and tunable bandgaps. I…
Iron-Arsenide monolayer as an anode materials for Lithium-ion batteries: A first-principles study
Ajay Kumar, Prakash Parida
This theoretical investigation delves into the structural, electronic, and electrochemical properties of two hexagonal iron-arsenide monolayers, 1T-FeAs and 1H-FeAs, focusing on th…
Engineering two-dimensional kagome topological insulator from porous graphene
Shashikant Kumar, Gulshan Kumar, Ajay Kumar +1
Our study sets forth a carbon based two-dimensional (2D) kagome topological insulator without containing any metal atoms, that aligns the Fermi level with the Dirac point without t…
Predicting edge-localized monovacancy defects in zigzag graphene nanoribbons from Floquet quasienergy spectrum
Gulshan Kumar, Shashikant Kumar, Ajay Kumar +1
In this work, we prescribe a theoretical framework aiming at predicting the position of monovacancy defects at the edges of zigzag graphene nanoribbons (ZGNRs) using Floquet-Bloch…
Unveiling the potential of BCN-Biphenylene monolayer as a high-performance anode material for alkali metal ion batteries: A first-principles study
Ajay Kumar Prakash Parida
Inspired by a freshly synthesized two-dimensional biphenylene carbon network, which features a captivating combination of hexagonal, square, and octagonal rings, we explored a simi…