QUANTUM CHEMICAL MODELING OF THERMALLY INDUCED STRUCTURAL TRANSFORMATIONS OF VANADIUM OXOCHLORIDE GROUPS ON SILICA SURFACE

Bulletin of the Saint Petersburg State Institute of Technology (Technical University) Pub Date : 2022-01-01 DOI:10.36807/1998-9849-2022-63-89-35-44

Evgeniy O. Drozdov, D. Buzina, A. A. Malkov, A. A. Malygin

引用次数: 0

Abstract

A comparative analysis of the structural and chemical transformations of vanadium oxochloride structures obtained by treating the silica surface with VOCl3 vapors was carried out based on quantum chemical modeling and experimental studies. The effect of temperature on the change in the composition and structure of surface vanadium-containing groups is estimated.

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二氧化硅表面氧化氯化钒基团热诱导结构转变的量子化学模拟

基于量子化学建模和实验研究，对比分析了用VOCl3蒸气处理二氧化硅表面得到的氯化钒结构和化学转变。估计了温度对表面含钒基团组成和结构变化的影响。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Bulletin of the Saint Petersburg State Institute of Technology (Technical University)

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