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The electrocatalytic overall water splitting and the corresponding reverse reaction play a vital role in future renewable energy systems and, hence, are frontiers of catalysis research. In this work, we identify a heretofore unknown two-dimensional palladium carbide using the structure swarm intelligence algorithm. The proposed monolayer, named α-PdC, consists of fully dispersed Pd atoms and a rigid carbon backbone, exhibiting high mechanical, dynamical, and thermal stability with desirable electrical conductivity. Further calculations s