数值模拟了C-H-O和C-H-N体系的气相化学,构建了含氧和含氮气源化学气相沉积金刚石膜的三元相图,探讨了加氧和加氮影响金刚石膜生长的途径.结果表明,甲基是金刚石生长主要的前驱基团,乙炔导致非金刚石碳沉积,原子氢刻蚀非金刚石碳.通过气相反应改变这些基团的浓度是加氧的一个重要作用途径,而加氮在改变这些基团浓度的同时,CN等含氮基团还强烈地参与了金刚石膜成核和生长的表面过程.
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