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

Abstract

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.