Development of a ReaxFF reactive force field for lithium ion conducting solid electrolyte Li1+xAlxTi2−x(PO4)3 (LATP)-Reference-Cited by-同舟云学术

Development of a ReaxFF reactive force field for lithium ion conducting solid electrolyte Li1+xAlxTi2−x(PO4)3 (LATP)

Published:2018 Issue:34 Volume:20 Page:22134-22147
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Shin Yun Kyung¹²³⁴⁵^ORCID,Sengul Mert Y.¹²³⁴⁵,Jonayat A. S. M.¹²³⁴⁵^ORCID,Lee Wonho⁶²³⁴⁵,Gomez Enrique D.⁷⁸²³⁴,Randall Clive A.⁷⁸²³⁴,Duin Adri C. T. van¹²³⁴⁵^ORCID

Affiliation:

1. Department of Mechanical and Nuclear Engineering

2. Pennsylvania State University

3. University Park

4. Pennsylvania 16802

5. USA

6. Department of Chemical Engineering

7. Department of Materials Science and Engineering

8. Materials Research Institute

Abstract

Using a ReaxFF reactive force field, we investigated the composition-dependent ionic conductivity and the Li migration behaviors in Li_1+xAl_xTi_2−x(PO₄)₃ solid electrolyte.

Funder

Advanced Research Projects Agency - Energy

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CP/C8CP03586E

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1. Issues and challenges facing rechargeable lithium batteries

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3. 7Li MRI of Li batteries reveals location of microstructural lithium