Quantum Chemical Simulation of Polycondensation Processes of Vanadium Oxide Structures on Silica Surface

For the V-O-V bonds between closely spaced vanadium hydroxide groups, synthesized by the molecular layering during sequential treatment of the silica surface with VOCl3 and H2O vapors, a scheme of binding based on experimental data was proposed, and patterns of formation were predicted by quantum chemistry methods.

Automated summary

This study proposes a binding scheme based on experimental data and predicts the formation patterns of V-O-V bonds between closely spaced vanadium hydroxide groups synthesized by sequential treatment of the silica surface with VOCl3 and H2O vapors.