Table 3 The adsorption energy E a and the charge transfer ∆Q from NH4 to graphene with three different geometries
From: Study on adsorption and desorption of ammonia on graphene
Position | Distance/Å | E a (NH4)/meV | ∆Q |
|---|---|---|---|
B | 2.86 | 528.06 | 0.19 e |
C | 2.19 | 644.29 | 0.54 e |
T | 2.21 | 628.94 | 0.34 e |