The role of oxygen in automotive grade lithium-ion battery cathodes: an atomistic survey of ageing

Author:

Mikheenkova Anastasiia1ORCID,Mukherjee Soham2ORCID,Hirsbrunner Moritz2ORCID,Törnblom Pontus2,Tai Cheuk-Wai3ORCID,Segre Carlo U.4ORCID,Ding Yujia4ORCID,Zhang Wenliang5ORCID,Asmara Teguh Citra5,Wei Yuan5,Schmitt Thorsten5,Rensmo Håkan2,Duda Laurent2ORCID,Hahlin Maria12ORCID

Affiliation:

1. Ångström Laboratory, Department of Chemistry, Uppsala University, SE 751 21 Uppsala, Sweden

2. Ångström Laboratory, Department of Physics and Astronomy, Uppsala University, SE 751 21 Uppsala, Sweden

3. Department of Materials and Environmental Chemistry, Arrhenius Laboratory, Stockholm University, Stockholm, 10691, Sweden

4. Department of Physics and CSRRI, Illinois Institute of Technology, Chicago, IL 60616, USA

5. Laboratory for Condensed Matter, Paul Scherrer Institute, Forschungsstrasse 111, Villigen PSI, 5232, Switzerland

Abstract

Charge compensation in a Ni-rich transition metal oxide cathode is different for Ni and Co, leading to changes in octahedral sizes and bond character, with oxygen playing a crucial role through hybridization and diatomic oxygen formation.

Funder

HORIZON EUROPE Marie Sklodowska-Curie Actions

Energimyndigheten

Vetenskapsrådet

Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science,Renewable Energy, Sustainability and the Environment,General Chemistry

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