Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 20(23), p. 11907-11916, 2021
DOI: 10.1039/d1cp01307f
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Theoretically modelling graphene-like carbon matryoshka with strong stability and particular three-center two-electron π bonds
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Abstract
A novel 2D-carbon allotrope L-2Gy with excellent catalytic activity for the HER has been constructed showing strong stability which is ascribed to the particular electronic structure of L-2Gy, delocalized π electrons based on 27 × 3c-2e π bonds.