含氢碳膜的生长机制：分子动力学模拟研究低能量CH基团的作用

摘要

Molecular dynamics simulations are carried out to investigate the effect of low energy CH radical on the growth of hydrogenatcd carbon film.The results show that the adsorption rate of CH on clear diamond（111） is about 98%.while on hydrogenated diamond （111） the adsorption rate is lower than 1%.It indicates that the selective adsorption of low energy CH radical at the unsaturated surface C site is the dominated mechanism of the hydrogenated carbon film growth in PECVD.%探索等离子增强化学气相沉积（PECVD）技术中含氢碳膜的生长机理,制备出常态超润滑含氢碳膜是表面工程技术领域的目标之一.基于REBO势函数,采用分子动力学模拟方法,通过对比研究CH基团在清洁金刚石和吸氢金刚石表面的沉积行为,发现低能量CH基团在清洁金刚石（111）面上的吸附效率大于98%,而在吸氢金刚石（111）面上的吸附效率低1%.结果表明PECVD法制备含氢碳膜时,低能量CH基团对薄膜生长的贡献主要来自于其存表面非饱和IC位置的选择性吸附.