Interaction of Gas-phase Atomic Hydrogen with Chemisorbed Oxygen Atoms on a Silicon Surface

摘要: The reaction of gas-phase atomic hydrogen with oxygen atoms chemisorbed on a silicon surface is studied by use the classical trajectory approach. We have calculated probability OH formation and energy deposit exothermicity in newly formed gas-surface H(g) + O(ad)/Si → OH(g) Si. All reactive events occur single impact collision subpicosecond scale, following EleyRideal mechanism. These localized region around adatom site surface. dependent upon gas temperature shows maximum near 1000 K, but it essentially independent temperature. also initial excitation O-Si vibration. available for product state carried away desorbing its translational vibrational motions. When vibration increases, energies rise accordingly, while shared rotational motion varies only slightly. Flow between zone solid has been incorporated calculations, amount propagated into few percent released formation.