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Effect of shape Si3O6 clusters on fluoride diffusion in nanocomposites : computational evidence. / Petrov, Andrey V.; Salamatov, Marat S.; Ivanov-Schitz, Alexey K.; Murin, Igor V.

In: Ionics, Vol. 27, No. 3, 03.2021, p. 1255-1260.

Research output: Contribution to journal › Article › peer-review

Harvard

Petrov, AV, Salamatov, MS, Ivanov-Schitz, AK & Murin, IV 2021, 'Effect of shape Si3O6 clusters on fluoride diffusion in nanocomposites: computational evidence', Ionics, vol. 27, no. 3, pp. 1255-1260. https://doi.org/10.1007/s11581-020-03710-6

APA

Petrov, A. V., Salamatov, M. S., Ivanov-Schitz, A. K., & Murin, I. V. (2021). Effect of shape Si3O6 clusters on fluoride diffusion in nanocomposites: computational evidence. Ionics, 27(3), 1255-1260. https://doi.org/10.1007/s11581-020-03710-6

Vancouver

Petrov AV, Salamatov MS, Ivanov-Schitz AK, Murin IV. Effect of shape Si3O6 clusters on fluoride diffusion in nanocomposites: computational evidence. Ionics. 2021 Mar;27(3):1255-1260. https://doi.org/10.1007/s11581-020-03710-6

Author

Petrov, Andrey V. ; Salamatov, Marat S. ; Ivanov-Schitz, Alexey K. ; Murin, Igor V. / Effect of shape Si3O6 clusters on fluoride diffusion in nanocomposites : computational evidence. In: Ionics. 2021 ; Vol. 27, No. 3. pp. 1255-1260.

BibTeX

@article{77416c40aeb54e3aa992f3f07b4822e1,
title = "Effect of shape Si3O6 clusters on fluoride diffusion in nanocomposites: computational evidence",
abstract = "It was shown that the mobility of fluoride ions in nanocomposite depends on the shape of nanoclusters of dopants. Fluoride diffusion in Рb1-xCdxF2–SiO2 nanocomposites has been simulated by molecular dynamics. Nanoscale particles of the composite were constructed from spherical nanoparticles of the Pb0.7Cd0.3F2 solid solution with a diameter of 4 nm and surrounded by Si3O6 clusters. The diffusion coefficient of fluoride ions has been calculated in the n(SiO2)3–Pb0.7Cd0.3F2 heterosystem with linear and cyclic Si3O6 clusters. It has been shown that the interaction between nanoparticles of the fluoride solid solution and Si3O6 clusters leads to an increase in the mobility of fluoride ions in the nanocomposite material.",
keywords = "cluster, composite, Lead fluoride, molecular dynamics, nanocomposite, silica, solid solutions, PERFORMANCE, COMPOSITES, IONIC-CONDUCTIVITY, SIMULATION, ELECTROLYTES, DOUBLY NEGATIVE SYSTEMS, CONDUCTORS, ENHANCEMENT, NANO-IONICS, ELECTRONIC-STRUCTURE",
author = "Petrov, {Andrey V.} and Salamatov, {Marat S.} and Ivanov-Schitz, {Alexey K.} and Murin, {Igor V.}",
note = "Petrov, A.V., Salamatov, M.S., Ivanov-Schitz, A.K. et al. Effect of shape Si3O6 clusters on fluoride diffusion in nanocomposites: computational evidence. Ionics 27, 1255–1260 (2021). https://doi.org/10.1007/s11581-020-03710-6",
year = "2021",
month = mar,
doi = "10.1007/s11581-020-03710-6",
language = "English",
volume = "27",
pages = "1255--1260",
journal = "Ionics",
issn = "0947-7047",
publisher = "Institute for Ionics",
number = "3",

}

RIS

TY - JOUR

T1 - Effect of shape Si3O6 clusters on fluoride diffusion in nanocomposites

T2 - computational evidence

AU - Petrov, Andrey V.

AU - Salamatov, Marat S.

AU - Ivanov-Schitz, Alexey K.

AU - Murin, Igor V.

N1 - Petrov, A.V., Salamatov, M.S., Ivanov-Schitz, A.K. et al. Effect of shape Si3O6 clusters on fluoride diffusion in nanocomposites: computational evidence. Ionics 27, 1255–1260 (2021). https://doi.org/10.1007/s11581-020-03710-6

PY - 2021/3

Y1 - 2021/3

N2 - It was shown that the mobility of fluoride ions in nanocomposite depends on the shape of nanoclusters of dopants. Fluoride diffusion in Рb1-xCdxF2–SiO2 nanocomposites has been simulated by molecular dynamics. Nanoscale particles of the composite were constructed from spherical nanoparticles of the Pb0.7Cd0.3F2 solid solution with a diameter of 4 nm and surrounded by Si3O6 clusters. The diffusion coefficient of fluoride ions has been calculated in the n(SiO2)3–Pb0.7Cd0.3F2 heterosystem with linear and cyclic Si3O6 clusters. It has been shown that the interaction between nanoparticles of the fluoride solid solution and Si3O6 clusters leads to an increase in the mobility of fluoride ions in the nanocomposite material.

AB - It was shown that the mobility of fluoride ions in nanocomposite depends on the shape of nanoclusters of dopants. Fluoride diffusion in Рb1-xCdxF2–SiO2 nanocomposites has been simulated by molecular dynamics. Nanoscale particles of the composite were constructed from spherical nanoparticles of the Pb0.7Cd0.3F2 solid solution with a diameter of 4 nm and surrounded by Si3O6 clusters. The diffusion coefficient of fluoride ions has been calculated in the n(SiO2)3–Pb0.7Cd0.3F2 heterosystem with linear and cyclic Si3O6 clusters. It has been shown that the interaction between nanoparticles of the fluoride solid solution and Si3O6 clusters leads to an increase in the mobility of fluoride ions in the nanocomposite material.

KW - cluster

KW - composite

KW - Lead fluoride

KW - molecular dynamics

KW - nanocomposite

KW - silica

KW - solid solutions

KW - PERFORMANCE

KW - COMPOSITES

KW - IONIC-CONDUCTIVITY

KW - SIMULATION

KW - ELECTROLYTES

KW - DOUBLY NEGATIVE SYSTEMS

KW - CONDUCTORS

KW - ENHANCEMENT

KW - NANO-IONICS

KW - ELECTRONIC-STRUCTURE

UR - http://www.scopus.com/inward/record.url?scp=85099096859&partnerID=8YFLogxK

UR - https://www.mendeley.com/catalogue/fd23af0b-9b60-30a8-8915-5eb65c2a8235/

U2 - 10.1007/s11581-020-03710-6

DO - 10.1007/s11581-020-03710-6

M3 - Article

AN - SCOPUS:85099096859

VL - 27

SP - 1255

EP - 1260

JO - Ionics

JF - Ionics

SN - 0947-7047

IS - 3

ER -

ID: 87742288