169 citations · 598 across the 9 of their papers we have counts for
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Quantifying Confidence in DFT Predicted Surface Pourbaix Diagrams of Transition Metal Electrode-Electrolyte Interfaces
Olga Vinogradova, Dilip Krishnamurthy, Vikram Pande +1
Density Functional Theory (DFT) calculations have been widely used to predict the activity of catalysts based on the free energies of reaction intermediates. The incorporation of t…
Maximal predictability approach for identifying the right descriptors for electrocatalytic reactions
Dilip Krishnamurthy, Vaidish Sumaria, Venkatasubramanian Viswanathan
Density Functional Theory (DFT) calculations are being routinely used to identify new material candidates that approach activity near fundamental limits imposed by thermodynamics o…
Surface Restructuring of Nickel Sulfide Generates Optimally-Coordinated Active Sites for ORR Catalysis
Bing Yan, Dilip Krishnamurthy, Christopher H. Hendon +3
First-row transition metal oxides and chalcogenides have been found to rival the performance of precious metal-based catalysts for the interconversion of water and O. The high…