Mo原子表面扩散激活能的计算及Mo2C膜成膜机理

应用Ｃｏｌｌｉｎｓ模型，计算了Ｍｏ原子表面扩散激活能。根据实验结果，论证了如下结论：在制备Ｍｏ２Ｃ膜的过程中，Ｍｏ（ＣＯ）６的变化遵从先被基底吸附，发生相变再进行级联式分解的两步机制；其成膜过程是Ｍｏ（ＣＯ）６先分解，再由Ｍｏ碳化为Ｍｏ２Ｃ成膜。用Ｇｉｂｂｓ函数最小的原理，探讨了成膜的适宜温度。

The surface excited energy of Mo atom and mechanism of preparing film of Mo2C film

Using two\|dimensional Collins model, in the papergives calculaon about surface diffusion excitation energy of atoms Mo. On the basis of results of experiment, the following conseguences are demonstratecl: In the process of prepared Mo\-2C\|film, the change of Mo(CO)\-6 follows the two steps: in the first the Mo(CO)\-6 are absorbed by substrate and thin the phase tronsition of Mo(CO)\-6 has occurred; in the second the Mo(CO)\-6 are decomposed. the deposition process ins that the Mo(CO)\-6 is decomposed at first, and them cacbonized. Finaly, applying Gibbs functional least\|principle, and probes the optimal temperature of preparing film.