Analysis of the geometrical properties and electronic structure of arsenide doped boron clusters: Ab-initio approach
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DOI: 10.1016/j.ica.2018.01.030
Abstract: Abstract Density functional theory (DFT) and coupled-cluster (CCSD(T)) theory have been applied to investigate the geometric, growth pattern, bonding, stability, dissociation, adsorption and electronic properties of arsenide doped boron clusters BnAs (n = 1–9). Vertical ionization potential… read more here.
Keywords: boron clusters; arsenide doped; analysis geometrical; doped boron ... See more keywords