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Hidden electronic rule in the "cluster-plus-glue-Atom" model
Electrons and their interactions are intrinsic factors to affect the structure and properties of materials. Based on the “cluster-cluster-plus-glue-atom” model, an electron counting rule for complex metallic alloys (CMAs) ...
Electrochemical Potential Derived from Atomic Cluster Structures
Based on the atomic cluster structures and free electron approximation model, it is revealed that the electrochemical potential (ECP) for the system of interest is proportional to the reciprocal of atomic cluster radius ...
Mechanism of hydrogen production via water splitting on 3C-SiC's different surfaces: A first-principles study
The reaction mechanism of producing hydrogen via water splitting on the different surfaces of cubic silicon carbide (3C-SiC), the adsorption energy and the activation energy have been studied here by using density functional ...