▎ 摘 要
The properties of a SiC(0001)-H-C(graphene) system have been studied by considering a cluster comprising two C atoms of graphene, three Si atoms of the SiC substrate, and two or three channeled H atoms. Calculations of the electron structure and bond energies are performed using the Harrison bonding orbital method. The influence of channeled H atoms on the system energy are analyzed using two schemes. It is shown that the scheme (A -> B) involving two H atoms is energetically unfavorable, while the scheme (A -> C) with three H atoms provides a gain in the energy.