An ab initio molecular orbital study of ion-solid interaction in carbon deposition processes

The charge effects of incident carbon ions on the chemical bond formation are discussed by using ab initio molecular orbital calculations. There are two kinds of bonds which are formed in the incident carbon and graphite surface; one is a covalent bond of a carbon cation with the surface, and the other is a van der Waals bond of a carbon nonion and the surface. A carbon anion can not have a stable bond to the graphite surface. The calculated results at the MP2 level are qualitatively consistent with the results at the UHF level.