Structures and Electronic Properties of Ni–Al Alloy Clusters from First-Principles Calculations
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DOI: 10.1007/s10876-017-1229-6
Abstract: Using the density functional theory calculations with the PBE exchange–correlation energy functional, we have studied the low-energy structures and electronic properties of Ni–Al alloy clusters for adsorbing or doping an aluminum atom to Nin (n = 13,… read more here.
Keywords: properties alloy; clusters first; structures electronic; electronic properties ... See more keywords