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Ab Initio Molecular Dynamics Simulation of the Superionic State in Pb0.78Sr0.19K0.03F1.97 Solid Solution: Behavioral Features of the Fluorine Ion Sublattice. / Петров, Андрей Витальевич; Цзи, Цяньлун; Мурин, Игорь Васильевич; Иванов-Шиц, Алексей Кириллович.

в: Crystallography Reports, Том 69, № 2, 19.07.2024, стр. 220-225.

Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование

Harvard

Петров, АВ, Цзи, Ц, Мурин, ИВ & Иванов-Шиц, АК 2024, 'Ab Initio Molecular Dynamics Simulation of the Superionic State in Pb0.78Sr0.19K0.03F1.97 Solid Solution: Behavioral Features of the Fluorine Ion Sublattice', Crystallography Reports, Том. 69, № 2, стр. 220-225. https://doi.org/10.1134/s1063774524600145

APA

Петров, А. В., Цзи, Ц., Мурин, И. В., & Иванов-Шиц, А. К. (2024). Ab Initio Molecular Dynamics Simulation of the Superionic State in Pb0.78Sr0.19K0.03F1.97 Solid Solution: Behavioral Features of the Fluorine Ion Sublattice. Crystallography Reports, 69(2), 220-225. https://doi.org/10.1134/s1063774524600145

Vancouver

Петров АВ, Цзи Ц, Мурин ИВ, Иванов-Шиц АК. Ab Initio Molecular Dynamics Simulation of the Superionic State in Pb0.78Sr0.19K0.03F1.97 Solid Solution: Behavioral Features of the Fluorine Ion Sublattice. Crystallography Reports. 2024 Июль 19;69(2):220-225. https://doi.org/10.1134/s1063774524600145

Author

Петров, Андрей Витальевич ; Цзи, Цяньлун ; Мурин, Игорь Васильевич ; Иванов-Шиц, Алексей Кириллович. / Ab Initio Molecular Dynamics Simulation of the Superionic State in Pb0.78Sr0.19K0.03F1.97 Solid Solution: Behavioral Features of the Fluorine Ion Sublattice. в: Crystallography Reports. 2024 ; Том 69, № 2. стр. 220-225.

BibTeX

@article{458d52d1c94d404ca0ec8ba67323e6c8,
title = "Ab Initio Molecular Dynamics Simulation of the Superionic State in Pb0.78Sr0.19K0.03F1.97 Solid Solution: Behavioral Features of the Fluorine Ion Sublattice",
abstract = "Abstract: The structural and transport features of the behavior of the fluorine ion sublattice of Pb0.78Sr0.19K0.03F1.97 solid solution have been studied by the ab initio molecular dynamics method. It is shown that the local diffusion of fluorine anions changes with the nature of dopant atom, which is consistent with the experimental transport characteristics.",
author = "Петров, {Андрей Витальевич} and Цяньлун Цзи and Мурин, {Игорь Васильевич} and Иванов-Шиц, {Алексей Кириллович}",
year = "2024",
month = jul,
day = "19",
doi = "10.1134/s1063774524600145",
language = "English",
volume = "69",
pages = "220--225",
journal = "Crystallography Reports",
issn = "1063-7745",
publisher = "МАИК {"}Наука/Интерпериодика{"}",
number = "2",

}

RIS

TY - JOUR

T1 - Ab Initio Molecular Dynamics Simulation of the Superionic State in Pb0.78Sr0.19K0.03F1.97 Solid Solution: Behavioral Features of the Fluorine Ion Sublattice

AU - Петров, Андрей Витальевич

AU - Цзи, Цяньлун

AU - Мурин, Игорь Васильевич

AU - Иванов-Шиц, Алексей Кириллович

PY - 2024/7/19

Y1 - 2024/7/19

N2 - Abstract: The structural and transport features of the behavior of the fluorine ion sublattice of Pb0.78Sr0.19K0.03F1.97 solid solution have been studied by the ab initio molecular dynamics method. It is shown that the local diffusion of fluorine anions changes with the nature of dopant atom, which is consistent with the experimental transport characteristics.

AB - Abstract: The structural and transport features of the behavior of the fluorine ion sublattice of Pb0.78Sr0.19K0.03F1.97 solid solution have been studied by the ab initio molecular dynamics method. It is shown that the local diffusion of fluorine anions changes with the nature of dopant atom, which is consistent with the experimental transport characteristics.

UR - https://www.mendeley.com/catalogue/4b5fab5c-5a51-3306-a582-a3c35f9f3641/

U2 - 10.1134/s1063774524600145

DO - 10.1134/s1063774524600145

M3 - Article

VL - 69

SP - 220

EP - 225

JO - Crystallography Reports

JF - Crystallography Reports

SN - 1063-7745

IS - 2

ER -

ID: 122276126