34 citations · 93 across the 32 of their papers we have counts for
9 papers · 1 filter
Magneto-transport in the monolayer MoS2 material system for high-performance field-effect transistor applications
Anup Kumar Mandia, Rohit Kumar, Seung-Cheol Lee +2
Electronic transport in monolayer MoS2 is significantly constrained by several extrinsic factors despite showing good prospects as a transistor channel material. Our paper aims to…
Customizing PBE Exchange-Correlation functionals: A comprehensive approach for band gap prediction in diverse semiconductors
Satadeep Bhattacharjee, Namitha Anna Koshi, Seung-Cheol Lee
Accurate band gap prediction in semiconductors is crucial for materials science and semiconductor technology advancements. This paper extends the Perdew-Burke-Ernzerhof (PBE) funct…
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…
CrysMMNet: Multimodal Representation for Crystal Property Prediction
Kishalay Das, Pawan Goyal, Seung-Cheol Lee +2
Machine Learning models have emerged as a powerful tool for fast and accurate prediction of different crystalline properties. Exiting state-of-the-art models rely on a single modal…
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…
Straintronics using the monolayer-Xene platform -- a comparative study
Swastik Sahoo, Namitha Anna Koshi, Seung-Cheol Lee +2
Monolayer silicene is a front runner in the 2D-Xene family, which also comprises germanene, stanene, and phosphorene, to name a few, due to its compatibility with current silicon f…
Spin torques and anomalous velocity in spin textures induced by fast electron injection from topological ferromagnets: The role of gauge fields
Satadeep Bhattacharjee, Seung-Cheol Lee
A new method for analysing magnetization dynamics in spin textures under the influence of fast electron injection from topological ferromagnetic sources such as Dirac half metals h…
High-frequency complex impedance analysis of the two-dimensional semiconducting MXene-
Anup Kumar Mandia, Rohit Kumar, Namitha Anna Koshi +3
The two-dimensional compound group of MXenes, which exhibit unique optical, electrical, chemical, and mechanical properties, are an exceptional class of transition metal carbides a…
CrysGNN : Distilling pre-trained knowledge to enhance property prediction for crystalline materials
Kishalay Das, Bidisha Samanta, Pawan Goyal +3
In recent years, graph neural network (GNN) based approaches have emerged as a powerful technique to encode complex topological structure of crystal materials in an enriched repres…