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. 2022 Aug 24;12(37):23937–23945. doi: 10.1039/d2ra03424g

The adsorption energy Ead, charge transfer Q, and band gap Eg of N2O adsorbed on the PG sheet.

Orientation Adsorption site E ad (eV) E g (eV) Q (e)
N end C1 −0.114 2.195 0.010
N end C2 −0.152 2.193 0.010
O end C1 −0.091 2.197 0.011
O end C2 −0.102 2.198 0.009
Horizontal C1 −0.203 2.197 0.015
Horizontal C2 −0.156 2.189 0.018