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Understanding the Formation of Antiphase Boundaries in Layered Oxide Cathode Materials and Their Evolution Upon Electrochemical Cycling

28 Pages Posted: 23 Jun 2021 Publication Status: Published

See all articles by Shamail Ahmed

Shamail Ahmed

Philipps-University of Marburg - Materials Science Center (WZMW)

Anuj Pokle

Philipps-University of Marburg - Materials Science Center (WZMW)

Matteo Bianchini

Karlsruhe Institute of Technology - Battery and Electrochemistry Laboratory

Simon Schweidler

Karlsruhe Institute of Technology - Battery and Electrochemistry Laboratory

Andreas Beyer

Philipps-University of Marburg - Materials Science Center (WZMW)

Torsten Brezesinski

Karlsruhe Institute of Technology - Battery and Electrochemistry Laboratory

Jürgen Janek

Justus-Liebig-University - Institute of Physical Chemistry & Center for Materials Research,

Kerstin Volz

Philipps-University of Marburg - Materials Science Center (WZMW)

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Abstract

Layered Li(Ni1-x-yCoxMny)O2 (NCM, with Ni ≥ 0.8) cathode materials are essential to achieve high energy densities in the next generation of lithium-ion batteries. This increased performance comes at the expense of stability. To extend the materials’ lifetime, it is necessary to understand the role that crystal defects play in the degradation during electrochemical cycling. In this study, NCM851005 (85% Ni) is investigated in the pristine state and after 100 and 200 cycles using scanning transmission electron microscopy (STEM), with the focus being on the defects in the material. The formation of antiphase boundaries (APB) from a dislocation in a pristine sample is proven. After 100 cycles, the APBs’ length and width are enlarged compared to the pristine state. After 200 cycles, APBs further evolve into an intragranular rock salt-like phase, distorting the nearby layered structure. It is suggested that the behavior of APBs plays a critical role in determining the performance of this cathode material with prolonged electrochemical cycling. These findings will help to understand better the role of dislocations and antiphase boundaries with electrochemical cycling, and the role of dopants may then be explored to avoid them.

Keywords: Batteries; cathode active material; dislocations, antiphase boundaries, twin boundaries, nanopores, layered phase, rock salt-like phase

Suggested Citation

Ahmed, Shamail and Pokle, Anuj and Bianchini, Matteo and Schweidler, Simon and Beyer, Andreas and Brezesinski, Torsten and Janek, Jürgen and Volz, Kerstin, Understanding the Formation of Antiphase Boundaries in Layered Oxide Cathode Materials and Their Evolution Upon Electrochemical Cycling. Available at SSRN: https://ssrn.com/abstract=3872943 or http://dx.doi.org/10.2139/ssrn.3872943
This version of the paper has not been formally peer reviewed.

Shamail Ahmed

Philipps-University of Marburg - Materials Science Center (WZMW) ( email )

Marburg
Germany

Anuj Pokle

Philipps-University of Marburg - Materials Science Center (WZMW) ( email )

Marburg
Germany

Matteo Bianchini

Karlsruhe Institute of Technology - Battery and Electrochemistry Laboratory ( email )

Kaiserstraße 12
Karlsruhe, Baden Württemberg 76131
Germany

Simon Schweidler

Karlsruhe Institute of Technology - Battery and Electrochemistry Laboratory ( email )

Kaiserstraße 12
Karlsruhe, Baden Württemberg 76131
Germany

Andreas Beyer

Philipps-University of Marburg - Materials Science Center (WZMW) ( email )

Marburg
Germany

Torsten Brezesinski

Karlsruhe Institute of Technology - Battery and Electrochemistry Laboratory ( email )

Kaiserstraße 12
Karlsruhe, Baden Württemberg 76131
Germany

Jürgen Janek

Justus-Liebig-University - Institute of Physical Chemistry & Center for Materials Research, ( email )

Germany

Kerstin Volz (Contact Author)

Philipps-University of Marburg - Materials Science Center (WZMW) ( email )

Marburg
Germany

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