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Development of a ReaxFF reactive force field for lithium ion conducting solid electrolyte Li 1+x Al x Ti 2-x (PO 4 ) 3 (LATP)

Journal Article · · Physical Chemistry Chemical Physics. PCCP (Print)
DOI:https://doi.org/10.1039/c8cp03586e· OSTI ID:1540018
 [1];  [1];  [1];  [2];  [3];  [3];  [1]
  1. Department of Mechanical and Nuclear Engineering; Pennsylvania State University; University Park; Pennsylvania 16802; USA
  2. Department of Chemical Engineering; Pennsylvania State University; University Park; Pennsylvania 16802; USA
  3. Department of Materials Science and Engineering; Materials Research Institute; Pennsylvania State University; University Park; Pennsylvania 16802
+ Show Author Affiliations

Using a ReaxFF reactive force field, we investigated the composition-dependent ionic conductivity and the Li migration behaviors in Li1+xAlxTi2-x(PO4)3solid electrolyte.

Research Organization:
Pennsylvania State Univ., University Park, PA (United States)
Sponsoring Organization:
USDOE Advanced Research Projects Agency - Energy (ARPA-E)
DOE Contract Number:
AR0000766
OSTI ID:
1540018
Journal Information:
Physical Chemistry Chemical Physics. PCCP (Print), Vol. 20, Issue 34; ISSN 1463-9076
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English

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