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Published in 2019 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-018-3906-2
Abstract: AbstractThe geometries, stabilities, and magnetic properties of Co2Bn (n = 1–10) clusters were systematically investigated by performing spin-polarized density functional theory calculations. We found that doping Bn clusters with Co significantly changed their structures. Co2B2 and Co2B5…
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Keywords:
stabilities magnetic;
magnetic properties;
spin magnetic;
co2bn clusters ... See more keywords