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Adsorption and catalytic properties of the polar (111) surface oftransition-metal carbides (TMC's) are investigated by density-functionaltheory. Atomic and molecular adsorption are rationalized with theconcerted-coupling model, in which two types of TMC surface resonances (SR's)play key roles. The transition-metal derived SR is found to be a singlemeasurable descriptor for the adsorption processes, implying that theBr{\o}nsted-Evans-Polanyi relation and scaling relations apply. This gives apicture with implications for ligand and vacancy effects and which has apotential for a broad screening procedure for heterogeneous catalysts.

From electronic structure to catalytic activity: A single descriptor for adsorption and reactivity on transition-metal carbides