84 citations · 197 across the 13 of their papers we have counts for
13 papers
Janus MgAlB_2 MBene: a dipole-engineered anode for ultrafast Li-ion transport and exceptional lithium storage
Pritam Samanta, Sashank Kumar Pandey, Amit Kumar Jana +1
In this work, we propose a group II/IIIA-based Janus MBene, MgAlB_2, and investigate its electrochemical properties using first-principles calculations. The substitution of one Mg…
Theoretical study of δ-5 boron monolayer as an anode material for Li and non-Li ion batteries
Ajay Kumar, Prakash Parida
We have studied the electrochemical performance of the delta-5 boron monolayer as an anode material for alkali metal (AM) and alkali earth metal (AEM) ion batteries using density f…
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…
Charge and Spin Thermoelectric Transport in Benzene-Based Molecular Nano-Junctions: A Quantum Many-Body Study
Parbati Senapati, Prakash Parida
Within the Coulomb blockade regime, our study delves into the charge, spin, and thermoelectric transport characteristics in a benzene-based molecular nano-junction using the Pauli…
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…
Theoretical insights on structural, electronic and thermoelectric properties of inorganic biphenylene: non-benzenoid Boron nitride
Ajay Kumar, Parbati Senapati, Prakash parida
The first-principles calculations predict a stable biphenylene carbon network (BPN) like the Boron-nitride structure named inorganic biphenylene network (I-BPN). A comparison has b…