Early-d-metal Janus MXenes as near-thermoneutral hydrogen evolution electrocatalysts: role of anion identity and d-band asymmetry
Type
Publication
RSC Advances
Shrestha Dutta
Research Scholar
Computational screening of 2D MXenes for hydrogen evolution catalysis using DFT to identify noble-metal-free alternatives for water splitting.
Rudra Banerjee
Assistant Professor, Computational Condensed Matter
Predicting how atomic-scale disorder and chemical complexity govern magnetic, catalytic, and quantum phenomena, from first principles.