Growing sp2 materials on transition metals: calculated atomic adsorption energies of hydrogen, boron, carbon, nitrogen, and oxygen atoms, C2 and BN dimers, C6 and (BN)3 hexamers, graphene and h-BN with and without atomic vacancies.

Nanoscale Adv · 2023 · PMC10729893 · PMID 38125605

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a clear trendno p-value reported

There is a clear trend in the adsorption energies with the number of valence band d-holes in the substrate atoms, as has been reported on h-BN by Laskowski et al. 25 The increase of the effect in going from the 3d to the 5d transition metals is also seen in the trends of the adsorption energies of the N and C atom ( Fig. 4 ).

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Growing sp<sup>2</sup> materials on transition metals: calculated atomic adsorption energies of hydrogen, boron, carbon, nitrogen, and oxygen atoms, C<sub>2</sub> and BN dimers, C<sub>6</sub> and (BN)<sub>3</sub> hexamers, graphene and h-BN with and without atomic vacancies.

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