Hydrogen coverage dependence of the reaction between gaseous and chemisorbed hydrogen atoms on a Diamond surface

초록

The reaction of the gas-phase atomic hydrogen and the hydrogen atom chemisorbed on a diamond surface is studied by use of the classical trajectory approach, with special emphasis on the coverage of chemisorbed atoms. Our model is based on reaction zone atoms interacting with a finite number of primary system atoms in the topmost surface layers, which are then coupled to the heat bath. In the case of high surface coverage, the dominant reaction is the formation of H₂(g) by Eley-Rideal process. In the case of low surface coverage, however, the chemisorption of H(g) is of major importance, and nearly all of the chemisorption events accompany the desorption of H(ad). In the latter case the formation of H₂(g) is the second most significant reaction pathway.