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Lithiation phase behaviors of metal oxide anodes and extra capacities

DOI: 10.1016/j.xcrp.2021.100543 DOI Help

Authors: Xiao Hua (University of Oxford) , Phoebe Allan (University of Birmingham) , Harry S. Geddes (University of Oxford) , Elizabeth Castillo-Martinez (Universidad Complutense de Madrid) , Philip A. Chater (Diamond Light Source) , Thomas S. Dean (University of Oxford) , Arianna Minelli (University of Oxford) , Peter G. Bruce (University of Oxford) , Andrew L. Goodwin (University of Oxford)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Cell Reports Physical Science , VOL 11

State: Published (Approved)
Published: August 2021
Diamond Proposal Number(s): 22115

Open Access Open Access

Abstract: Binary metal oxides have received sustained interest as anode materials due to their desirable capacities, exceeding theoretical values particularly in the first discharge. Although they have received increasing attention in recent years, topical debates persist regarding not only their lithiation mechanisms but also the origin of additional capacity. Aiming to resolve these disagreements, we perform a systematic study of a series of iron and manganese oxides to investigate their phase behavior during first discharge. Using a combination of in operando pair distribution function measurements and our recently developed Metropolis non-negative matrix factorization approach to address the analytical challenges concerning materials’ nanoscopic nature and phase heterogeneity, here we report unexpected observation of non-equilibrium FeOx solid-solution phases and pulverization of MnO. These processes are correlated with the extra capacities observed at different depths of discharge, pointing to a metal-dependent nature of this additional capacity and demonstrating the advantage of our approach with promising prospects for diverse applications.

Journal Keywords: lithium-ion batteries; metal oxide anodes; pair distribution function; mixed-phase deconvolution

Diamond Keywords: Batteries; Lithium-ion

Subject Areas: Materials, Chemistry, Energy

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

Added On: 23/08/2021 09:27


Discipline Tags:

Energy Storage Energy Physical Chemistry Energy Materials Chemistry Materials Science

Technical Tags:

Scattering Pair Distribution Function (PDF)