Atomistic origin of variation in toughness and ionic conductivity in lithium borophosphate glassy electrolytes
| Autor: | Zhimin Chen, Tao Du, Søren Strandskov Sørensen, Rasmus Christensen, Qi Zhang, Lars Rosgaard Jensen, Mathieu Bauchy, Morten Smedskjaer |
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| Jazyk: | angličtina |
| Rok vydání: | 2022 |
| Předmět: | |
| Zdroj: | Chen, Z, Du, T, Sørensen, S S, Christensen, R, Zhang, Q, Jensen, L R, Bauchy, M & Smedskjær, M M 2022, ' Atomistic origin of variation in toughness and ionic conductivity in lithium borophosphate glassy electrolytes ', The International Year of Glass Symposium, Aalborg, Denmark, 18/05/2022-19/05/2022 . Aalborg University |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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