Structural modeling of high-entropy oxides battery anodes using x-ray absorption spectroscopy

Marques, Otavio J.; Segre, Carlo U.

doi:10.1063/5.0206316

Structural modeling of high-entropy oxides battery anodes using x-ray absorption spectroscopy

Journal Article · Mon Jun 10 00:00:00 EDT 2024 · Journal of Applied Physics

DOI:https://doi.org/10.1063/5.0206316· OSTI ID:2396700

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SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States). Stanford Synchrotron Radiation Lightsource (SSRL); SLAC
Illinois Institute of Technology, Chicago, IL (United States)

High-entropy oxides (HEOs) are single phase solid solutions where five or more metals share the same sublattice, giving rise to unexpected features in various fields of applications. Recently, HEOs have emerged as an alternative conversion electrode anode material for next-generation Li-ion batteries, where the combination of several different elements in a single solid solution can synergistically act to overcome some of its main drawbacks, improving performance. Due to their chemical complexity, x-ray absorption spectroscopy (XAS) emerges as an appropriate technique to study the electronic (x-ray absorption near edge structure, XANES) and local structure (extended x-ray absorption fine structure, EXAFS) of these compounds as a function of cycling. This work aims to highlight the capabilities of XAS as an element-specific probe to understand a material’s structure at the atomistic level through EXAFS modeling of (MgFeCoNiCuZn)O high-entropy system and how to extract valuable information about the bond distance, number of near neighbors, and local disorder, which are crucial to a full understanding of the electrochemical reaction mechanisms of such battery electrodes.

View Accepted Manuscript (DOE)

Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS); SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: AC02-06CH11357; AC02-76SF00515

OSTI ID:: 2396700

Journal Information:: Journal of Applied Physics, Journal Name: Journal of Applied Physics Journal Issue: 22 Vol. 135; ISSN 0021-8979

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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Related Subjects

25 ENERGY STORAGE
Jahn-Teller distortion
X-ray absorption spectroscopy
X-ray diffraction
batteries
electrochemical reactions
entropy
extended X-ray absorption fine structure
near edge X-ray absorption fine structure spectroscopy
scattering theory

Structural modeling of high-entropy oxides battery anodes using x-ray absorption spectroscopy

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