Density functional study of PdaCubAuc (a + b + c = 7) clusters: Geometry, electronic and H2 physisorption properties

Computational and Theoretical Chemistry（2020）

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摘要

Excess binding energy in eV of PdaCubAuc (a + b + c = 7) clusters as a function of the atomic composition.

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关键词

Ternary clusters,PdaCubAuc,DFT,Hydrogen adsorption

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