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
Designing next-generation magnetic, catalytic, and quantum materials from first principles — bridging atomic-scale disorder to device-relevant function.