63 citations · 75 across the 9 of their papers we have counts for
9 papers
Tuning the Electronic and Magnetic Properties of Double Transition Metal MCrCT (M = Ti, Mo) Janus MXenes for Enhanced Spintronics and Nanoelectronics
Swetarekha Ram, Namitha Anna Koshi, Seung-Cheol Lee +1
Janus MXenes, a new category of two-dimensional (2D) materials, shows promising potential for advances in optoelectronics, spintronics and nanoelectronics. Our theoretical investig…
A Hybrid Machine Learning Framework for Predicting Hydrogen Storage Capacities in Metal Hydrides: Unsupervised Feature Learning with Deep Neural Networks
Satadeep Bhattacharjee, Pritam Das, Swetarekha Ram +1
In this study, we present a sophisticated hybrid machine-learning framework that significantly improves the accuracy of predicting hydrogen storage capacities in metal hydrides. Th…
Insights into Heterogeneous Catalysis on Surfaces with 3d Transition Metals: Spin-Dependent Chemisorption Models and Magnetic Field Effects
Satadeep Bhattacharjee, Swetarekha Ram, Seung-Cheol Lee
This article provides a review of recent developments in the field of 3d transition metal (TM) catalysts for different reactions including oxygen-based reactions such as Oxygen Red…
Combining first-principles modeling and symbolic regression for designing efficient single-atom catalysts in Oxygen Evolution Reaction on MoCO MXenes
Swetarekha Ram, Gwan Hyun Choi, Albert S. Lee +2
In this study, we address the significant challenge of overcoming limitations in catalytic efficiency for the oxygen evolution reaction (OER). The current linear scaling relationsh…
Identifying the critical surface descriptors responsible for the appearance of negative slopes in the adsorption energy scaling relationships
Swetarekha Ram, Seung-Cheol Lee, Satadeep Bhattacharjee
Adsorption energy scaling relationships have now developed beyond their original form, which was more targeted towards the optimization of catalytic sites and the reduction of comp…
MatScIE: An automated tool for the generation of databases of methods and parameters used in the computational materials science literature
Souradip Guha, Ankan Mullick, Jatin Agrawal +5
The number of published articles in the field of materials science is growing rapidly every year. This comparatively unstructured data source, which contains a large amount of info…
Scaling relation for the adsorption energies at bimetallic magnetic surfaces: Role of surface magnetic moment and work-function
Swetarekha Ram, Seung-Cheol Lee, Satadeep Bhattacharjee
The scaling relationships between the adsorption energies of different reaction intermediates have a tremendous effect in the field of surface science, particularly in predicting n…
Interplay of electron correlation and covalency in FeTe(0.6)Se(0.4)
Ganesh Adhikary, Deepnarayan Biswas, Nishaina Sahadev +5
We investigate the electronic structure of FeTe(0.6)Se(0.4) employing high resolution photoemission spectroscopy and ab initio band structure calculations. Fe 2p core level and the…
Electronic topological transition in LaSn under pressure
Swetarekha Ram, V. Kanchana, G. Vaitheeswaran +3
The electronic structure, Fermi surface and elastic properties of the iso-structural and iso-electronic LaSn and YSn intermetallic compounds are studied under pressure with…