Author

P. Omprakash

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Preprint Sep 2026

Activating Basal Planes in Transition Metal Dichalcogenides for CO2 Reduction to CO through Alloying

Transition metal dichalcogenides (TMDCs) have emerged as highly tunable platforms for electrocatalysis, particularly for the CO2 reduction reaction (CO2RR). While TMDC edge sites exhibit catalytic activity, the basal plane is typically inert, severely limiting the overall active site density. In this work, we show that...

Eric Montufar-Morales, Dan Rinder, P. Omprakash et al. · 0 citations

Preprint Sep 2026

First-principles-based Prediction of Phase Fields: Part I. Binary and Ternary Refractory Alloys

Multiple principal element alloys (MPEAs) exhibit complex phase equilibria involving multinary solid solutions and intermetallics, which makes it challenging to predict their temperature-composition phase diagrams. Their vast compositional space makes first principles methods prohibitively expensive, while CALPHAD is l...

P. Omprakash, N. Crnkovich, J. Cavin et al. · 0 citations