206 citations · 819 across the 79 of their papers we have counts for
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Computational design of novel MAX phase alloys for potential hydrogen storage media combining first principles and cluster expansion methods
Pritam Das, Krishnamohan Thekkepat, Young-Su Lee +2
Finding a suitable material for hydrogen storage at ambient atmospheric conditions is challenging for material scientists and chemists. In this work, using a first principles based…
Can magneto-transport properties provide insight into the functional groups in semiconducting MXenes?
Namitha Anna Koshi, Anup Kumar Mandia, Bhaskaran Muralidharan +2
The Hall scattering factor of Sc2CF2, Sc2CO2 and Sc2C(OH)2 is calculated using Rode's iterative approach by solving the Boltzmann transport equation. This is carried out in conjunc…
Anti-site disorder and Berry curvature driven anomalous Hall effect in spin gapless semiconducting Mn2CoAl Heusler compound
Nisha Shahi, Ajit K. Jena, Gaurav K. Shukla +9
Spin gapless semiconductors exhibit a finite band gap for one spin channel and closed gap for other spin channel, emerged as a new state of magnetic materials with a great potentia…
A new palladium alloy with near-ideal hydrogen storage performance
Pritam Das, Young-Su Lee, Seung-Cheol Lee +1
Hydrogen-based fuels demand high-density storage that can operate under ambient temperatures. Pd and its alloys are the most investigated metal hydrides for hydrogen fuel cell appl…
Surface-oxygen-passivation driven large anomalous Hall conductivity (AHC) in nitride MXenes: Can AHC be a tool to determine functional groups in 2D ferro(i)magnets?
Ajit Jena, Seung-Cheol Lee, Satadeep Bhattacharjee
Identifying the existence of specific functional groups in MXenes is a difficult topic that has perplexed researchers for a long time. We show in this paper that in the case of mag…
A general rule for predicting the magnetic moment of Cobalt-based Heusler compounds using compressed sensing and density functional theory
Satadeep Bhattacharjee, Seung-Cheol Lee
We propose a general rule for estimating the magnetic moments of Co(cobalt)-based Heusler alloys, especially when doped with late transition metals. We come up with a descripto…