Structural, magnetic and electronic properties of copper-phthalocyanine (CuPc) adsorbed on graphene: Ab initio studies
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DOI: 10.1016/j.molstruc.2020.128034
Abstract: Abstract The energetics, electronic and magnetic properties of copper-phthalocyanine (CuPc) adsorbed on graphene have been studied, using the density-functional theory with variants of GGA and LDA as the exchange-correlation functionals. The effects of van der… read more here.
Keywords: adsorption; graphene; vdw dispersion; cupc ... See more keywords