TU Darmstadt / ULB / TUbiblio

Fundamental degradation mechanisms of layered oxide Li-ion battery cathode materials: Methodology, insights and novel approaches

Hausbrand, René and Cherkashinin, Gennady and Ehrenberg, Helmut and Gröting, Melanie and Albe, Karsten and Hess, Christian and Jaegermann, Wolfram (2015):
Fundamental degradation mechanisms of layered oxide Li-ion battery cathode materials: Methodology, insights and novel approaches.
In: Materials Science and Engineering: B, pp. 3-15, 192, ISSN 09215107, [Online-Edition: http://dx.doi.org/10.1016/j.mseb.2014.11.014],
[Article]

Abstract

This overview addresses the atomistic aspects of degradation of layered LiMO2 (M = Ni, Co, Mn) oxide Li-ion battery cathode materials, aiming to shed light on the fundamental degradation mechanisms especially inside active cathode materials and at their interfaces. It includes recent results obtained by novel in situ/in operando diffraction methods, modelling, and quasi in situ surface science analysis. Degradation of the active cathode material occurs upon overcharge, resulting from a positive potential shift of the anode. Oxygen loss and eventual phase transformation resulting in dead regions are ascribed to changes in electronic structure and defect formation. The anode potential shift results from loss of free lithium due to side reactions occurring at electrode/electrolyte interfaces. Such side reactions are caused by electron transfer, and depend on the electron energy level alignment at the interface. Side reactions at electrode/electrolyte interfaces and capacity fade may be overcome by the use of suitable solid-state electrolytes and Li-containing anodes.

Item Type: Article
Erschienen: 2015
Creators: Hausbrand, René and Cherkashinin, Gennady and Ehrenberg, Helmut and Gröting, Melanie and Albe, Karsten and Hess, Christian and Jaegermann, Wolfram
Title: Fundamental degradation mechanisms of layered oxide Li-ion battery cathode materials: Methodology, insights and novel approaches
Language: English
Abstract:

This overview addresses the atomistic aspects of degradation of layered LiMO2 (M = Ni, Co, Mn) oxide Li-ion battery cathode materials, aiming to shed light on the fundamental degradation mechanisms especially inside active cathode materials and at their interfaces. It includes recent results obtained by novel in situ/in operando diffraction methods, modelling, and quasi in situ surface science analysis. Degradation of the active cathode material occurs upon overcharge, resulting from a positive potential shift of the anode. Oxygen loss and eventual phase transformation resulting in dead regions are ascribed to changes in electronic structure and defect formation. The anode potential shift results from loss of free lithium due to side reactions occurring at electrode/electrolyte interfaces. Such side reactions are caused by electron transfer, and depend on the electron energy level alignment at the interface. Side reactions at electrode/electrolyte interfaces and capacity fade may be overcome by the use of suitable solid-state electrolytes and Li-containing anodes.

Journal or Publication Title: Materials Science and Engineering: B
Volume: 192
Divisions: 11 Department of Materials and Earth Sciences
11 Department of Materials and Earth Sciences > Material Science
11 Department of Materials and Earth Sciences > Material Science > Materials Modelling
11 Department of Materials and Earth Sciences > Material Science > Surface Science
07 Department of Chemistry
07 Department of Chemistry > Physical Chemistry
Zentrale Einrichtungen
DFG-Collaborative Research Centres (incl. Transregio) > Collaborative Research Centres > CRC 595: Electrical fatigue
DFG-Collaborative Research Centres (incl. Transregio) > Collaborative Research Centres > CRC 595: Electrical fatigue > A - Synthesis
DFG-Collaborative Research Centres (incl. Transregio) > Collaborative Research Centres > CRC 595: Electrical fatigue > A - Synthesis > Subproject A3: Boundary layers and thin films of ionic conductors: Electronic structure, electrochemical potentials, defect formation and degradation mechanisms
DFG-Collaborative Research Centres (incl. Transregio) > Collaborative Research Centres > CRC 595: Electrical fatigue > B - Characterisation
DFG-Collaborative Research Centres (incl. Transregio) > Collaborative Research Centres > CRC 595: Electrical fatigue > B - Characterisation > Subproject B4: In situ investigations of the degradation of intercalation batteries and their modelling
DFG-Collaborative Research Centres (incl. Transregio) > Collaborative Research Centres > CRC 595: Electrical fatigue > B - Characterisation > Subproject B8: In situ diagnostics of intercalation-batteries via Raman spectroscop
DFG-Collaborative Research Centres (incl. Transregio) > Collaborative Research Centres > CRC 595: Electrical fatigue > C - Modelling
DFG-Collaborative Research Centres (incl. Transregio) > Collaborative Research Centres > CRC 595: Electrical fatigue > C - Modelling > Subproject C1: Quantum mechanical computer simulations for electron and defect structure of oxides
DFG-Collaborative Research Centres (incl. Transregio) > Collaborative Research Centres
DFG-Collaborative Research Centres (incl. Transregio)
Date Deposited: 15 Dec 2014 14:18
Official URL: http://dx.doi.org/10.1016/j.mseb.2014.11.014
Additional Information:

SFB 595 Cooperation A3, B4, B8, C1

Identification Number: doi:10.1016/j.mseb.2014.11.014
Funders: The financial support from the German Science Foundation (DFG) of the collaborative research center SFB 595 “Electrical fatigue in functional materials” for three funding periods (2003–2014) is gratefully acknowledged.
Export:

Optionen (nur für Redakteure)

View Item View Item