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Structure dependence of fracture toughness and ionic conductivity in lithium borophosphate glassy electrolytes for all-solid-state batteries

DOI: 10.1016/j.jpowsour.2022.232302 DOI Help

Authors: Zhimin Chen (Aalborg University) , Tao Du (Aalborg University) , Søren S. Sørensen (Aalborg University) , Rasmus Christensen (Aalborg University) , Qi Zhang (Aalborg University) , Lars R. Jensen (Aalborg University) , Oxana Magdysyuk (Diamond Light Source) , Maria Diaz-Lopez (Diamond Light Source) , Mathieu Bauchy (University of California, Los Angeles) , Yuanzheng Yue (Aalborg University) , Morten M. Smedskjaer (Aalborg University)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Journal Of Power Sources , VOL 553

State: Published (Approved)
Published: November 2022
Diamond Proposal Number(s): 30401

Open Access Open Access

Abstract: Glass materials are potential candidates as solid electrolytes for batteries, but the atomistic origins of the variations in their properties and functionalities with composition are not well understood. Here, based on combined experimental and simulation techniques, we investigate the structural origin of the variation in fracture toughness and ionic conductivity of lithium borophosphate glass electrolytes with varying compositions. We focus on these properties since they are critically important for mechanical stability and electrochemical performances of glassy electrolytes. To this end, we have performed molecular dynamics simulations combined with X-ray total scattering experiments to provide the atomic picture of the disordered structure of borophosphate glass. The mechanical properties have been characterized through single-edge precracked beam measurements and axial tensile simulations. We find that the deformation and fracture behaviors of the electrolytes are governed by bond switching events of boron, which dissipate the strain energy during fracture. The migration of lithium ions in the electrolyte network is facilitated by hopping between superstructural rings, which reflects the important role of medium-range order structure in determining the lithium-ion diffusion. These findings have important implications for the design of future glassy electrolytes.

Diamond Keywords: Batteries; Solid-State Batteries (SSB); Lithium-ion

Subject Areas: Materials, Chemistry, Energy

Instruments: I15-1-X-ray Pair Distribution Function (XPDF)

Added On: 09/11/2022 08:35


Discipline Tags:

Energy Storage Energy Physical Chemistry Energy Materials Chemistry Materials Science

Technical Tags:

Scattering Total Scattering