Temperature-dependent Li vacancy diffusion in Li4Ti5O12 by means of first principles molecular dynamic simulations-Reference-Cited by-同舟云学术

Temperature-dependent Li vacancy diffusion in Li₄Ti₅O₁₂ by means of first principles molecular dynamic simulations

Published:2022 Issue:9 Volume:24 Page:5301-5316
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Henkel Pascal¹²,Zahn Stefan¹²,Lorenz Janine¹^ORCID,Jacob Timo³,Janek Jürgen¹²^ORCID,Mollenhauer Doreen¹²^ORCID

Affiliation:

1. Institute of Physical Chemistry, Justus-Liebig University Giessen, 35392 Giessen, Germany

2. Center for Materials Research (LaMa), Justus-Liebig University Giessen, 35392 Giessen, Germany

3. Institute of Electrochemistry, Ulm University, Albert-Einstein-Allee 47, 89081 Ulm, Germany

Abstract

Li vacancy diffusion steps in Li4Ti5O12 mainly occur as 8ainit ↔ 16c ↔ 8afinal or the corresponding back diffusion step 8ainit ↔ 16c ↔ 8ainit depending on the 16c lifetime.

Funder

Deutsche Forschungsgemeinschaft

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D1CP05126A

Reference77 articles.

1. Fast Charging of Lithium‐Ion Batteries: A Review of Materials Aspects

2. Challenges in the development of advanced Li-ion batteries: a review

3. Lithium batteries: Status, prospects and future

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5. Factor affecting the capacity retention of lithium-ion cells

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