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Unveiling the electrocatalytic hydrogen evolution reaction pathway on RuP2 through Ab initio grand canonical Monte Carlo
Qin, Shihan; Banerjee, Sayan; Şensoy, Mehmet Gökhan; Rappe, Andrew M. (Amer Chemical Soc., 2024)In this study, the high catalytic reactivity of ruthenium phosphide (RuP2) has been identified by first-principles density functional theory (DFT) calculations for the electrocatalytic hydrogen evolution reaction (HER). ...