2 papers
cond-mat.mtrl-sci2026
d-band filling dictates magnetic stability in Mn- and Co-substituted FeRh alloys
Greeshma R, Rudra Banerjee
The composition-dependent magnetic properties of B2-ordered \zfr~alloys with substitutional disorder on the Fe sublattice are investigated using first-principles calculations withi…
cond-mat.mtrl-sci2025
Tuning Catalytic Efficiency: Thermodynamic Optimization of Zr-Doped \ce{Ti3C2} and \ce{Ti3CN} MXenes for HER Catalysis
Shrestha Dutta, Rudra Banerjee
Hydrogen production via the Hydrogen Evolution Reaction (HER) is critical for sustainable energy solutions, yet the reliance on expensive platinum (Pt) catalysts limits scalability…