Chemical vapor deposition (CVD) of tungsten is widely used in semiconductor devices. In this process, although many atoms are expected to adsorb on a surface during the deposition, the behavior of these atoms has not been understood well. In this study, we have first investigated the reduction step of F adsorbates by H adsorbates on a W surface by density functional theory. The calculated reaction heat (36.5 kcal/mol) is in good agreement with the experimentally estimated value.
- Activation energy
- Density functional theory