10 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…
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…
Thermoelectric performance of quantum dots embedded in an Aharonov-Bohm ring: a Pauli master equation approach
Parbati Senapati, Prakash Parida
Within linear response theory using Pauli master equation approach, we have investigated the thermoelectric properties of quantum dots (QDs) embedded in an Aharonov-Bohm (AB) ring…
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…
Unravelling The potential of Hybrid Borocarbonitride Biphenylene 2D Network for Thermoelectric Applications: A First Principles Study
Ajay Kumar Parbati Senapati, Prakash Parida
In this study, we investigate a novel hybrid borocarbonitrides (bpn-BCN) 2D material inspired by recent advances in carbon biphenylene synthesis, using first-principles calculation…