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Reaction and Space Charge Layer Formation at the LiCoO2–LiPON Interface: Insights on Defect Formation and Ion Energy Level Alignment by a Combined Surface Science–Simulation Approach

Fingerle, Mathias and Buchheit, Roman and Sicolo, Sabrina and Albe, Karsten and Hausbrand, René (2017):
Reaction and Space Charge Layer Formation at the LiCoO2–LiPON Interface: Insights on Defect Formation and Ion Energy Level Alignment by a Combined Surface Science–Simulation Approach.
In: Chemistry of Materials, ACS Publications, pp. 7675-7685, 29, (18), ISSN 0897-4756,
DOI: 10.1021/acs.chemmater.7b00890,
[Online-Edition: https://doi.org/10.1021/acs.chemmater.7b00890],
[Article]

Abstract

In this contribution, we investigate the formation and evolution of LiCoO2–LiPON interfaces upon annealing using photoelectron spectroscopy. We identify interlayer compounds related to the deposition process and study the chemical reactions leading to interlayer formation. Based on the structure of the pristine interface as well as on its evolution upon annealing, we relate reaction layer and space charge layer formation to chemical potential differences between the two materials. The results are discussed in terms of a combined Li-ion and electron interface energy level scheme providing insights into fundamental charge transfer processes. In constructing the energy level alignment, we take into account calculated defect formation energies of lithium in the cathode and solid electrolyte.

Item Type: Article
Erschienen: 2017
Creators: Fingerle, Mathias and Buchheit, Roman and Sicolo, Sabrina and Albe, Karsten and Hausbrand, René
Title: Reaction and Space Charge Layer Formation at the LiCoO2–LiPON Interface: Insights on Defect Formation and Ion Energy Level Alignment by a Combined Surface Science–Simulation Approach
Language: English
Abstract:

In this contribution, we investigate the formation and evolution of LiCoO2–LiPON interfaces upon annealing using photoelectron spectroscopy. We identify interlayer compounds related to the deposition process and study the chemical reactions leading to interlayer formation. Based on the structure of the pristine interface as well as on its evolution upon annealing, we relate reaction layer and space charge layer formation to chemical potential differences between the two materials. The results are discussed in terms of a combined Li-ion and electron interface energy level scheme providing insights into fundamental charge transfer processes. In constructing the energy level alignment, we take into account calculated defect formation energies of lithium in the cathode and solid electrolyte.

Journal or Publication Title: Chemistry of Materials
Volume: 29
Number: 18
Publisher: ACS Publications
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
Date Deposited: 27 Sep 2017 08:07
DOI: 10.1021/acs.chemmater.7b00890
Official URL: https://doi.org/10.1021/acs.chemmater.7b00890
Funders: The financial support from the German Science Foundation (DFG) for the project “Interface phenomena in ionic systems” is gratefully acknowledged (AL 578/19-1, HA 6128/1-1)., Also, the authors would like to thank the BMBF for funding within the Electrochemistry Initiative (03KP801).
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