COMPUTER QUANTUM-CHEMICAL SIMULATION OF MULTICOMPONENT SiO2 — MexOy SYSTEMS

For the first time, in this work, the possibility of forming multicomponent SiO2 — Fe3O4, SiO2 — MnO2 and SiO2 — CuO systems by adsorption of a metal oxide layer consisting of nanoparticles of manganese (IV) dioxide, mixed iron oxide or nanoparticles of copper (II) oxide on the surface of SiO2 micr...

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Main Authors:	A.A. Gvozdenko, A.V. Blinov, M.A. Yasnaya, A.B. Golik, V.V. Raffa, V.N. Kramarenko, D.G. Maglakelidze, I.M. Shevchenko
Format:	Article
Language:	Russian
Published:	Tver State University 2020-12-01
Series:	Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов
Subjects:	nanocomposites multicomponent systems quantum-chemical simulation sol-gel method
Online Access:	https://physchemaspects.ru/2020/doi-10-26456-pcascnn-2020-12-394/

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spelling	doaj-34b3de599ae748a2baa659612c5a73a02020-12-17T19:17:56ZrusTver State UniversityФизико-химические аспекты изучения кластеров, наноструктур и наноматериалов2226-44422658-43602020-12-011239440410.26456/pcascnn/2020.12.394COMPUTER QUANTUM-CHEMICAL SIMULATION OF MULTICOMPONENT SiO2 — MexOy SYSTEMSA.A. Gvozdenko0A.V. Blinov1M.A. Yasnaya2A.B. Golik3V.V. Raffa4V.N. Kramarenko5D.G. Maglakelidze6I.M. Shevchenko7North-Caucasian Federal University, Stavropol, RussiaNorth-Caucasian Federal University, Stavropol, RussiaNorth-Caucasian Federal University, Stavropol, RussiaNorth-Caucasian Federal University, Stavropol, RussiaNorth-Caucasian Federal University, Stavropol, RussiaNorth-Caucasian Federal University, Stavropol, RussiaNorth-Caucasian Federal University, Stavropol, RussiaNorth-Caucasian Federal University, Stavropol, RussiaFor the first time, in this work, the possibility of forming multicomponent SiO2 — Fe3O4, SiO2 — MnO2 and SiO2 — CuO systems by adsorption of a metal oxide layer consisting of nanoparticles of manganese (IV) dioxide, mixed iron oxide or nanoparticles of copper (II) oxide on the surface of SiO2 microspheres has been shown by means of a computer quantum-chemical simulation. According to the results of the scanning electron microscopy, it was found that formation of a metal oxide layer in the SiO2 — Fe3O4 sample occurred most uniformly among all the presented samples of multicomponent systems. Within the framework of quantum-chemical simulation, it was found that the most energetically favorable and stable was the interaction of SiO2 with Fe3O4 nanoparticles.https://physchemaspects.ru/2020/doi-10-26456-pcascnn-2020-12-394/nanocompositesmulticomponent systemsquantum-chemical simulationsol-gel method
collection	DOAJ
language	Russian
format	Article
sources	DOAJ
author	A.A. Gvozdenko A.V. Blinov M.A. Yasnaya A.B. Golik V.V. Raffa V.N. Kramarenko D.G. Maglakelidze I.M. Shevchenko
spellingShingle	A.A. Gvozdenko A.V. Blinov M.A. Yasnaya A.B. Golik V.V. Raffa V.N. Kramarenko D.G. Maglakelidze I.M. Shevchenko COMPUTER QUANTUM-CHEMICAL SIMULATION OF MULTICOMPONENT SiO2 — MexOy SYSTEMS Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов nanocomposites multicomponent systems quantum-chemical simulation sol-gel method
author_facet	A.A. Gvozdenko A.V. Blinov M.A. Yasnaya A.B. Golik V.V. Raffa V.N. Kramarenko D.G. Maglakelidze I.M. Shevchenko
author_sort	A.A. Gvozdenko
title	COMPUTER QUANTUM-CHEMICAL SIMULATION OF MULTICOMPONENT SiO2 — MexOy SYSTEMS
title_short	COMPUTER QUANTUM-CHEMICAL SIMULATION OF MULTICOMPONENT SiO2 — MexOy SYSTEMS
title_full	COMPUTER QUANTUM-CHEMICAL SIMULATION OF MULTICOMPONENT SiO2 — MexOy SYSTEMS
title_fullStr	COMPUTER QUANTUM-CHEMICAL SIMULATION OF MULTICOMPONENT SiO2 — MexOy SYSTEMS
title_full_unstemmed	COMPUTER QUANTUM-CHEMICAL SIMULATION OF MULTICOMPONENT SiO2 — MexOy SYSTEMS
title_sort	computer quantum-chemical simulation of multicomponent sio2 — mexoy systems
publisher	Tver State University
series	Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов
issn	2226-4442 2658-4360
publishDate	2020-12-01
description	For the first time, in this work, the possibility of forming multicomponent SiO2 — Fe3O4, SiO2 — MnO2 and SiO2 — CuO systems by adsorption of a metal oxide layer consisting of nanoparticles of manganese (IV) dioxide, mixed iron oxide or nanoparticles of copper (II) oxide on the surface of SiO2 microspheres has been shown by means of a computer quantum-chemical simulation. According to the results of the scanning electron microscopy, it was found that formation of a metal oxide layer in the SiO2 — Fe3O4 sample occurred most uniformly among all the presented samples of multicomponent systems. Within the framework of quantum-chemical simulation, it was found that the most energetically favorable and stable was the interaction of SiO2 with Fe3O4 nanoparticles.
topic	nanocomposites multicomponent systems quantum-chemical simulation sol-gel method
url	https://physchemaspects.ru/2020/doi-10-26456-pcascnn-2020-12-394/
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COMPUTER QUANTUM-CHEMICAL SIMULATION OF MULTICOMPONENT SiO2 — MexOy SYSTEMS

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