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. 2018 Oct 26;1(1):132–139. doi: 10.1039/c8na00059j

Bader charge analysis for metal supported h-BN. Negative values indicate that the h-BN sheet gains electrons from the metal supports.

Electrons per BN pair Without vac. B-vac. N-vac.
Ag 0.00 −0.09 0.03
Pd 0.00 −0.05 0.02
Pt 0.00 −0.03 0.04
Cu 0.00 −0.14 0.03