Table 1 Barrier height and the energy of the final state relative to the initial state
From: First-principles theoretical study of hydrolysis of stepped and kinked Ga-terminated GaN surfaces
Barrier height/eV | Energy difference/eV | |||
---|---|---|---|---|
Step-terrace structure | Side bond | 1.35 | 1.06 | |
Back bond | 1.18 | 0.34 | ||
Kinked structure | Side bond | 0.95 | 0.58 | |
Back bond | 0.81 | −0.04 |