Journal
18TH INTERNATIONAL MEETING ON LITHIUM BATTERIES (IMLB 2016)
Volume 73, Issue 1, Pages 231-240Publisher
ELECTROCHEMICAL SOC INC
DOI: 10.1149/07301.0231ecst
Keywords
-
Categories
Funding
- NSF [DMR-1507942]
Ask authors/readers for more resources
First principles simulations show that the ground state crystal structure of Li4SnS4 is isomorphous to Li4GeS4, in agreement with experiment, and having interstitial sites in void channels along the c axis. The simulations also show that a slightly meta-stable structure (Li4SnS4*) is formed by moving Li ions from their central sites to the interstitial positions, consistent with X-ray patterns resulting from relatively low temperature synthesis methods. The simulations suggest that the Li4SnS4* material has favorable ion conducting properties.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available