Quantum-chemical analysis and experimental synthesis of titanium-vanadium-containing coatings on the silica surface from a mixture of TiCl4 and VOCl3 vapors

Resumo

A process for the synthesis of a two-component vanadium-titanium-containing monolayer coating on the silica surface by treating the latter with a mixture of TiCl₄ and VOCl₃ vapors was considered. Quantum-chemical simulations showed that the synthesis temperature and concentrations of the reactants in the gas phase have a decisive influence on the composition and structure of the resulting coating. Based on the model predictions, two-component coatings with 0.2–0.9 ratios of the molar concentration of vanadium to that of titanium in the solid phase were synthesized. The ratio of the content of the solid-phase vanadium to titanium was shown to linearly vary with the VOCl₃ to TiCl₄ concentration ratio in the vapor mixture over wide temperature and concentration ranges, which allows controlling the composition of the two-component coatings being formed.