Topological analysis of possible conductivity pathways in LiRW2O8 (R = M3+ - lanthanides and d-metals)

E. A. Mukhanova; O. Yu Kisel; V. V. Butova; A. M. Aboraia; I. S. Yahia; H. Y. Zahran; A. F.Abd El-Rehim; H. Algarni; A. V. Soldatov

doi:10.1016/j.jssc.2022.122954

Topological analysis of possible conductivity pathways in LiRW₂O₈ (R = M³⁺ - lanthanides and d-metals)

E. A. Mukhanova
, O. Yu Kisel
, V. V. Butova
, A. M. Aboraia
, I. S. Yahia
, H. Y. Zahran
, A. F.Abd El-Rehim
, H. Algarni
, A. V. Soldatov

Southern Federal University
Al-Azhar University
King Khalid University
Ain Shams University

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

Abstract

This paper presents the results of a comparative geometric-topological calculation of possible conduction pathways for the Li ⁺ cation in LiRW₂O₈, where R is a cation M³⁺. Topological analysis based on Voronoi tessellation was performed using the ToposPro software package. We used two critical sets of parameters to construct conductivity channels. As a result, new sets of complex tungstates with lithium were obtained and analyzed. The influence of the structure and size of a triply charged cation on the possibility of fast migration of a lithium cation is discussed. In conclusion, we offer a list of new promising conductors with the formula LiRW₂O₈.

Original language	English
Article number	122954
Journal	Journal of Solid State Chemistry
Volume	309
DOIs	https://doi.org/10.1016/j.jssc.2022.122954
State	Published - May 2022
Externally published	Yes

Keywords

Li-ion conductors
Topological analysis
Tungstates

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10.1016/j.jssc.2022.122954

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title = "Topological analysis of possible conductivity pathways in LiRW2O8 (R = M3+ - lanthanides and d-metals)",

abstract = "This paper presents the results of a comparative geometric-topological calculation of possible conduction pathways for the Li + cation in LiRW2O8, where R is a cation M3+. Topological analysis based on Voronoi tessellation was performed using the ToposPro software package. We used two critical sets of parameters to construct conductivity channels. As a result, new sets of complex tungstates with lithium were obtained and analyzed. The influence of the structure and size of a triply charged cation on the possibility of fast migration of a lithium cation is discussed. In conclusion, we offer a list of new promising conductors with the formula LiRW2O8.",

keywords = "Li-ion conductors, Topological analysis, Tungstates",

author = "Mukhanova, \{E. A.\} and Kisel, \{O. Yu\} and Butova, \{V. V.\} and Aboraia, \{A. M.\} and Yahia, \{I. S.\} and Zahran, \{H. Y.\} and El-Rehim, \{A. F.Abd\} and H. Algarni and Soldatov, \{A. V.\}",

note = "Publisher Copyright: {\textcopyright} 2022 Elsevier Inc.",

year = "2022",

month = may,

doi = "10.1016/j.jssc.2022.122954",

language = "English",

volume = "309",

journal = "Journal of Solid State Chemistry",

issn = "0022-4596",

publisher = "Academic Press Inc.",

}

TY - JOUR

T1 - Topological analysis of possible conductivity pathways in LiRW2O8 (R = M3+ - lanthanides and d-metals)

AU - Mukhanova, E. A.

AU - Kisel, O. Yu

AU - Butova, V. V.

AU - Aboraia, A. M.

AU - Yahia, I. S.

AU - Zahran, H. Y.

AU - El-Rehim, A. F.Abd

AU - Algarni, H.

AU - Soldatov, A. V.

PY - 2022/5

Y1 - 2022/5

N2 - This paper presents the results of a comparative geometric-topological calculation of possible conduction pathways for the Li + cation in LiRW2O8, where R is a cation M3+. Topological analysis based on Voronoi tessellation was performed using the ToposPro software package. We used two critical sets of parameters to construct conductivity channels. As a result, new sets of complex tungstates with lithium were obtained and analyzed. The influence of the structure and size of a triply charged cation on the possibility of fast migration of a lithium cation is discussed. In conclusion, we offer a list of new promising conductors with the formula LiRW2O8.

AB - This paper presents the results of a comparative geometric-topological calculation of possible conduction pathways for the Li + cation in LiRW2O8, where R is a cation M3+. Topological analysis based on Voronoi tessellation was performed using the ToposPro software package. We used two critical sets of parameters to construct conductivity channels. As a result, new sets of complex tungstates with lithium were obtained and analyzed. The influence of the structure and size of a triply charged cation on the possibility of fast migration of a lithium cation is discussed. In conclusion, we offer a list of new promising conductors with the formula LiRW2O8.

KW - Li-ion conductors

KW - Topological analysis

KW - Tungstates

UR - https://www.scopus.com/pages/publications/85124286539

U2 - 10.1016/j.jssc.2022.122954

DO - 10.1016/j.jssc.2022.122954

M3 - Article

AN - SCOPUS:85124286539

SN - 0022-4596

VL - 309

JO - Journal of Solid State Chemistry

JF - Journal of Solid State Chemistry

M1 - 122954

ER -

Topological analysis of possible conductivity pathways in LiRW₂O₈ (R = M³⁺ - lanthanides and d-metals)

Abstract

Keywords

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