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Table 1
Views of the most stable geometries of the adsorbed CHON isomers on graphene.
HCNO | HNCO | HONC | HOCN |
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Eads = 0.16 eV | Eads = 0.19 eV | Eads = 0.34 eV | Eads = 0.35 eV |
3.7 kcal/mol | 4.4 kcal/mol | 7.8 kcal/mol | 8.1 kcal/mol |
Notes. Upper panels: top views; Lower panels: side views. Adsorption energies Eads are given in eV and kcal/mol.
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