Explores CO2 activation dynamics using vanadium-doped cobalt clusters, suggesting enhanced catalytic reactivity.
antibonding π* lowest unoccupied molecular orbital is the dominant factor in activation, combined with an overall more positive charge on the vanadium atom and a strong dative V-O bond in the dissociated product. The size selectivity demonstrates how a fine interplay between dopant element and cluster size could be made instrumental in tuning the reactivity of catalyst materials.
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Pradeep et al. (2026) studied this question.
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