Atomistic origin of variation in toughness and ionic conductivity in lithium borophosphate glassy electrolytes

Zhimin Chen; Tao Du; Søren Strandskov Sørensen; Rasmus Christensen; Qi Zhang; Lars Rosgaard Jensen; Mathieu Bauchy; Morten Mattrup Smedskjær

Atomistic origin of variation in toughness and ionic conductivity in lithium borophosphate glassy electrolytes

Zhimin Chen, Tao Du, Søren Strandskov Sørensen, Rasmus Christensen, Qi Zhang, Lars Rosgaard Jensen, Mathieu Bauchy, Morten Mattrup Smedskjær^*

^*Kontaktforfatter

Publikation: Konferencebidrag uden forlag/tidsskrift › Poster › Forskning › peer review

Abstract

Improvement in the mechanical properties of solid-state electrolytes for batteries is needed. Fracture toughness (KIc) is emerging as a determining factor for evaluating the performance of solid-state batteries by quantifying the resistance to crack propagation. We have measured KIc by means of the SEPB method1 for lithium borophosphate (LiBP, xLi2O-(100-x)(0.5B2O3-0.5P2O5), x = 38, 40, 42.5, 45 for specific) glassy electrolytes. Molecular dynamics (MD) simulations combined with bond switching2, rings statistic3, and persistent homology analyses have been used to reveal the atomic origin of the variation in fracture toughness and ionic conductivity with composition.

Originalsprog	Engelsk
Publikationsdato	18 maj 2022
Status	Udgivet - 18 maj 2022
Begivenhed	The International Year of Glass Symposium - Aalborg University, Aalborg, Danmark Varighed: 18 maj 2022 → 19 maj 2022 https://www.danskkeramiskselskab.dk/media/14104/program_march_2022_v2.pdf

Konference

Konference	The International Year of Glass Symposium
Lokation	Aalborg University
Land/Område	Danmark
By	Aalborg
Periode	18/05/2022 → 19/05/2022
Internetadresse	https://www.danskkeramiskselskab.dk/media/14104/program_march_2022_v2.pdf

AUB Link

Søg efter materialet i Aalborg Universitetsbiblioteks søgemaskine

Mechanical Properties of Glassy Solid Electrolytes
Smedskjær, M. M. & Chen, Z.
01/10/2021 → 30/09/2024
Projekter: Projekt › Ph.d.-projekt

Citationsformater

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abstract = "Improvement in the mechanical properties of solid-state electrolytes for batteries is needed. Fracture toughness (KIc) is emerging as a determining factor for evaluating the performance of solid-state batteries by quantifying the resistance to crack propagation. We have measured KIc by means of the SEPB method1 for lithium borophosphate (LiBP, xLi2O-(100-x)(0.5B2O3-0.5P2O5), x = 38, 40, 42.5, 45 for specific) glassy electrolytes. Molecular dynamics (MD) simulations combined with bond switching2, rings statistic3, and persistent homology analyses have been used to reveal the atomic origin of the variation in fracture toughness and ionic conductivity with composition.",

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author = "Zhimin Chen and Tao Du and S{\o}rensen, {S{\o}ren Strandskov} and Rasmus Christensen and Qi Zhang and Jensen, {Lars Rosgaard} and Mathieu Bauchy and Smedskj{\ae}r, {Morten Mattrup}",

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note = "The International Year of Glass Symposium ; Conference date: 18-05-2022 Through 19-05-2022",

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TY - CONF

T1 - Atomistic origin of variation in toughness and ionic conductivity in lithium borophosphate glassy electrolytes

AU - Chen, Zhimin

AU - Du, Tao

AU - Sørensen, Søren Strandskov

AU - Christensen, Rasmus

AU - Zhang, Qi

AU - Jensen, Lars Rosgaard

AU - Bauchy, Mathieu

AU - Smedskjær, Morten Mattrup

PY - 2022/5/18

Y1 - 2022/5/18

N2 - Improvement in the mechanical properties of solid-state electrolytes for batteries is needed. Fracture toughness (KIc) is emerging as a determining factor for evaluating the performance of solid-state batteries by quantifying the resistance to crack propagation. We have measured KIc by means of the SEPB method1 for lithium borophosphate (LiBP, xLi2O-(100-x)(0.5B2O3-0.5P2O5), x = 38, 40, 42.5, 45 for specific) glassy electrolytes. Molecular dynamics (MD) simulations combined with bond switching2, rings statistic3, and persistent homology analyses have been used to reveal the atomic origin of the variation in fracture toughness and ionic conductivity with composition.

AB - Improvement in the mechanical properties of solid-state electrolytes for batteries is needed. Fracture toughness (KIc) is emerging as a determining factor for evaluating the performance of solid-state batteries by quantifying the resistance to crack propagation. We have measured KIc by means of the SEPB method1 for lithium borophosphate (LiBP, xLi2O-(100-x)(0.5B2O3-0.5P2O5), x = 38, 40, 42.5, 45 for specific) glassy electrolytes. Molecular dynamics (MD) simulations combined with bond switching2, rings statistic3, and persistent homology analyses have been used to reveal the atomic origin of the variation in fracture toughness and ionic conductivity with composition.

KW - Glassy electrolytes

KW - Fracture Toughness

KW - Topology

M3 - Poster

T2 - The International Year of Glass Symposium

Y2 - 18 May 2022 through 19 May 2022

ER -

Atomistic origin of variation in toughness and ionic conductivity in lithium borophosphate glassy electrolytes

Abstract

Konference

AUB Link

Fingeraftryk

Projekter

Mechanical Properties of Glassy Solid Electrolytes

Citationsformater