Enhanced bond switching at complexion layer facilitates high fracture energy of LATP solid-state electrolytes

文献情報

出版日 2023-12-28

DOI 10.1039/D3TA05122F

インパクトファクター 12.732

著者

Zhimin Chen, Tao Du, N. M. Anoop Krishnan, Morten M. Smedskjaer

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要旨

Understanding the mechanical behavior of solid-state electrolytes is pivotal for the development of all-solid-state batteries. Using large-scale molecular dynamics simulations, here we show that Li1.3Al0.3Ti1.7(PO4)3 (LATP) glass-ceramics, a promising solid-state electrolyte, feature an enhanced bond switching at the complexed glass–crystal interface, thereby facilitating their relatively high fracture energy. Specifically, we study the mechanical behavior of LATP during tensile simulations, focusing on the crack propagation. We find that the fracture behavior is strongly influenced by the size of the nanograins and their positions relative to the pre-crack, and the complexed interface is found to be susceptible to concentrated shear deformation. The fracture energy of LATP glass-ceramics is enhanced for larger grains, since these have higher contact area with the glass phase and thus a larger complexed interface. Based on structural analyses during the tensile process, we demonstrate the occurrence of enhanced bond switching events at complex interfaces. These events dissipate the strain energy associated with the fracture process. Particularly in cases where cracks tend to propagate along the interfaces, this enhancement significantly improves the fracture energy of LATP glass-ceramic electrolytes.

掲載誌

Journal of Materials Chemistry A

CiteScore: 19.5

自己引用率: 4.7%

年間論文数: 2211

Journal of Materials Chemistry A, B & C cover high quality studies across all fields of materials chemistry. The journals focus on those theoretical or experimental studies that report new understanding, applications, properties and synthesis of materials. The journals have a strong history of publishing quality reports of interest to interdisciplinary communities and providing an efficient and rigorous service through peer review and publication. The journals are led by an international team of Editors-in-Chief and Associate Editors who are all active researchers in their fields. Journal of Materials Chemistry A, B & C are separated by the intended application of the material studied. Broadly, applications in energy and sustainability are of interest to Journal of Materials Chemistry A, applications in biology and medicine are of interest to Journal of Materials Chemistry B, and applications in optical, magnetic and electronic devices are of interest to Journal of Materials Chemistry C. More than one Journal of Materials Chemistry journal may be suitable for certain fields and researchers are encouraged to submit their paper to the journal that they feel best fits for their particular article. Example topic areas within the scope of Journal of Materials Chemistry A are listed below. This list is neither exhaustive nor exclusive. Artificial photosynthesis Batteries Carbon dioxide conversion Catalysis Fuel cells Gas capture/separation/storage Green/sustainable materials Hydrogen generation Hydrogen storage Photocatalysis Photovoltaics Self-cleaning materials Self-healing materials Sensors Supercapacitors Thermoelectrics Water splitting Water treatment

Enhanced bond switching at complexion layer facilitates high fracture energy of LATP solid-state electrolytes

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掲載誌

Journal of Materials Chemistry A

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