Defect formation and migration in Nasicon Li1+xAlxTi2−x(PO4)3

Hamid R. Arjmandi; Steffen Grieshammer

doi:10.1039/C9CP04792A

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Defect formation and migration in Nasicon Li_1+xAl_xTi_2−x(PO₄)₃†

Hamid R. Arjmandi^a and Steffen Grieshammer

*^abc

Author affiliations

* Corresponding authors

^a Institute of Physical Chemistry, RWTH Aachen University, Landoltweg 2, 52056 Aachen, Germany

^b Helmholtz-Institut Münster (IEK-12), Forschungszentrum Jülich GmbH, Corrensstr. 46, 48149 Münster, Germany
E-mail: s.grieshammer@fz-juelich.de

^c JARA-HPC, Forschungszentrum Jülich, RWTH Aachen University, Germany

Abstract

NASICON-structured materials of the composition Li_1+xAl_xTi_2−x(PO₄)₃ are regarded as solid electrolytes with high Li-ion conductivity applicable in all solid-state batteries. In this study we investigate the migration paths of constituting ions and monovalent charge carriers including K⁺, Na⁺, and, H⁺. The results proof that Li is the most mobile species in the investigated composition and that the formation of intrinsic defects is unlikely. In addition, we find surprisingly low migration energy for oxygen vacancies in the structure of the dedicated Li-ion conductor.

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Article information

DOI: https://doi.org/10.1039/C9CP04792A
Article type: Paper
Submitted: 29 Aug 2019
Accepted: 23 Oct 2019
First published: 23 Oct 2019

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Phys. Chem. Chem. Phys., 2019,21, 24232-24238

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Defect formation and migration in Nasicon Li_1+xAl_xTi_2−x(PO₄)₃

H. R. Arjmandi and S. Grieshammer, Phys. Chem. Chem. Phys., 2019, 21, 24232 DOI: 10.1039/C9CP04792A

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