Reaction path analysis for chemical vapor deposition and atomic layer deposition processes: A study of titania thin-film deposition.

In this paper, we introduce a reaction graph-based analysis method to study the mathematical structure and dynamical behavior of thin-film deposition reaction network models. Using this approach, we identify reaction network invariants and determine the chemical significance of these conserved modes for thin-film deposition reaction mechanisms. Furthermore, the species-reaction graphs can be used to distinguish “proper” from problematic reaction networks during the initial stages of reaction kinetic modeling studies. Results are presented in the context of a titania deposition process where the transition from atomic layer deposition to chemical vapor deposition growth modes is observed. [ABSTRACT FROM AUTHOR]