3 papers
cond-mat.mtrl-sci2026
Multi-Fidelity Computational Screening of High-Entropy MBenes for CO Electroreduction
Sree Harsha Bharadwaj H, Raghavan Ranganathan
High-entropy MBenes (HE-MBenes) represent a promising, unexplored class of 2D materials for electrocatalysis. In this work, we present a systematic computational screening of 56 eq…
cond-mat.mtrl-sci2026
Harnessing Structural Disorder: Unraveling Hydrogen Evolution in Monolayer Amorphous Carbon via First-Principles Simulations and Machine-Learned Potentials
Sreehari M S, Ashutosh Krishna Amaram, Raghavan Ranganathan
Disorder and defective coordination in the catalytic plane are crucial for enhancing the Hydrogen Evolution Reaction (HER) on two-dimensional catalysts. Amorphous materials are dis…
cond-mat.mtrl-sci2025
A First-Principles Investigation of Goldene for Enhanced Hydrogen Evolution Reaction
Ashutosh Krishna Amaram, Aaditya Roy, Raghavan Ranganathan
The recent synthesis of Goldene, a 2D sheet of gold exfoliated from , offers high specific surface area (~260 ), roughly twice that of fine nanodots (~100 $m^…