Table 4.
The adsorption energy E a and the charge transfer ∆Q from NH3•H2O and NH3•2H2O to graphene
Distance/Å | E a (NH3•H2O)/meV | ∆Q |
3.25 | 43.70 | 0.01 e |
Distance/Å | E a (NH3•2H2O)/meV | ∆Q |
3.16 | 73.52 | −0.01 e |
The adsorption energy E a and the charge transfer ∆Q from NH3•H2O and NH3•2H2O to graphene
Distance/Å | E a (NH3•H2O)/meV | ∆Q |
3.25 | 43.70 | 0.01 e |
Distance/Å | E a (NH3•2H2O)/meV | ∆Q |
3.16 | 73.52 | −0.01 e |