Modeling the hydrogen and oxygen atoms interaction with the defects on a diamond surface

摘要

This paper analyzes the values of adsorption and desorption activation energy, bonding energy and the the results of interaction between the particles (H, O, CH_2 and CO) with point defects on the reconstructed hydrogenated diamond surface C(100)-(2×1): a monovacancy and adatom.. The study describes the most probable single acts of etching and restoration of an ordered surface.