Electronic Properties of Hexagonal Graphene Quantum Rings from TAO-DFT
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DOI: 10.3390/nano12223943
Abstract: The reliable prediction of electronic properties associated with graphene nanosystems can be challenging for conventional electronic structure methods, such as Kohn–Sham (KS) density functional theory (DFT), due to the presence of strong static correlation effects… read more here.
Keywords: quantum rings; graphene quantum; hexagonal graphene; tao dft ... See more keywords