skip to main content

DOE PAGESDOE PAGES

This content will become publicly available on December 7, 2019

Title: High throughput identification of Li ion diffusion pathways in typical solid state electrolytes and electrode materials by BV-Ewald method

A new BV-Ewald method was developed to calculate Li-ion diffusion pathways more quickly and correctly.
Authors:
 [1] ;  [1] ;  [1] ;  [1] ;  [1] ; ORCiD logo [1] ;  [2]
  1. School of Advanced Materials, Peking University, Shenzhen Graduate School, Shenzhen 518055, People's Republic of China
  2. Materials Science Division, Lawrence Berkeley National Laboratory, Berkeley, USA
Publication Date:
Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Materials Chemistry A
Additional Journal Information:
Journal Name: Journal of Materials Chemistry A Journal Volume: 7 Journal Issue: 3; Journal ID: ISSN 2050-7488
Publisher:
Royal Society of Chemistry (RSC)
Sponsoring Org:
USDOE
Country of Publication:
United Kingdom
Language:
English
OSTI Identifier:
1489301

Chen, Dajun, Jie, Jianshu, Weng, Mouyi, Li, Shucheng, Chen, Dong, Pan, Feng, and Wang, Lin-Wang. High throughput identification of Li ion diffusion pathways in typical solid state electrolytes and electrode materials by BV-Ewald method. United Kingdom: N. p., Web. doi:10.1039/C8TA09345H.
Chen, Dajun, Jie, Jianshu, Weng, Mouyi, Li, Shucheng, Chen, Dong, Pan, Feng, & Wang, Lin-Wang. High throughput identification of Li ion diffusion pathways in typical solid state electrolytes and electrode materials by BV-Ewald method. United Kingdom. doi:10.1039/C8TA09345H.
Chen, Dajun, Jie, Jianshu, Weng, Mouyi, Li, Shucheng, Chen, Dong, Pan, Feng, and Wang, Lin-Wang. 2019. "High throughput identification of Li ion diffusion pathways in typical solid state electrolytes and electrode materials by BV-Ewald method". United Kingdom. doi:10.1039/C8TA09345H.
@article{osti_1489301,
title = {High throughput identification of Li ion diffusion pathways in typical solid state electrolytes and electrode materials by BV-Ewald method},
author = {Chen, Dajun and Jie, Jianshu and Weng, Mouyi and Li, Shucheng and Chen, Dong and Pan, Feng and Wang, Lin-Wang},
abstractNote = {A new BV-Ewald method was developed to calculate Li-ion diffusion pathways more quickly and correctly.},
doi = {10.1039/C8TA09345H},
journal = {Journal of Materials Chemistry A},
number = 3,
volume = 7,
place = {United Kingdom},
year = {2019},
month = {1}
}

Works referenced in this record:

Challenges for Rechargeable Li Batteries
journal, February 2010
  • Goodenough, John B.; Kim, Youngsik
  • Chemistry of Materials, Vol. 22, Issue 3, p. 587-603
  • DOI: 10.1021/cm901452z

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

Progress and prospective of solid-state lithium batteries
journal, February 2013

Ab initiomolecular dynamics for liquid metals
journal, January 1993

Nonaqueous Liquid Electrolytes for Lithium-Based Rechargeable Batteries
journal, October 2004

Crystal Chemistry and Stability of �Li7La3Zr2O12 � Garnet: A Fast Lithium-Ion Conductor
journal, February 2011
  • Geiger, Charles A.; Alekseev, Evgeny; Lazic, Biljana
  • Inorganic Chemistry, Vol. 50, Issue 3, p. 1089-1097
  • DOI: 10.1021/ic101914e