skip to main content

DOE PAGESDOE PAGES

Title: Design principles for high transition metal capacity in disordered rocksalt Li-ion cathodes

Design rules for high capacity disordered rocksalt Li-ion cathodes applied to the Li–Mn–V–O–F system.
Authors:
ORCiD logo [1] ; ORCiD logo [2] ;  [1] ;  [2] ; ORCiD logo [3] ; ORCiD logo [4] ;  [5] ;  [6] ;  [7] ;  [8] ;  [9] ; ORCiD logo [6] ;  [3] ;  [10]
  1. Department of Materials Science and Engineering, MIT, Cambridge, USA
  2. Materials Science Division, LBNL, Berkeley, USA, Department of Materials Science and Engineering
  3. Department of Materials Science and Engineering, UC Berkeley, Berkeley, USA
  4. X-ray Science Division, Advanced Photon Source, Argonne National Laboratory, Argonne, USA
  5. Materials Science Division, LBNL, Berkeley, USA
  6. Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, USA
  7. Department of Chemical and Biomolecular Engineering, UC Berkeley, Berkeley, USA
  8. Department of Chemistry, UC Berkeley, Berkeley, USA
  9. Department of Chemical and Biomolecular Engineering, UC Berkeley, Berkeley, USA, Energy Storage and Distributed Resources Division
  10. Department of Materials Science and Engineering, MIT, Cambridge, USA, Materials Science Division
Publication Date:
Grant/Contract Number:
AC02-05CH11231
Type:
Published Article
Journal Name:
Energy & Environmental Science
Additional Journal Information:
Journal Name: Energy & Environmental Science Journal Volume: 11 Journal Issue: 8; Journal ID: ISSN 1754-5692
Publisher:
Royal Society of Chemistry (RSC)
Sponsoring Org:
USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V)
Country of Publication:
United Kingdom
Language:
English
OSTI Identifier:
1441056

Kitchaev, Daniil A., Lun, Zhengyan, Richards, William D., Ji, Huiwen, Clément, Raphaële J., Balasubramanian, Mahalingam, Kwon, Deok-Hwang, Dai, Kehua, Papp, Joseph K., Lei, Teng, McCloskey, Bryan D., Yang, Wanli, Lee, Jinhyuk, and Ceder, Gerbrand. Design principles for high transition metal capacity in disordered rocksalt Li-ion cathodes. United Kingdom: N. p., Web. doi:10.1039/C8EE00816G.
Kitchaev, Daniil A., Lun, Zhengyan, Richards, William D., Ji, Huiwen, Clément, Raphaële J., Balasubramanian, Mahalingam, Kwon, Deok-Hwang, Dai, Kehua, Papp, Joseph K., Lei, Teng, McCloskey, Bryan D., Yang, Wanli, Lee, Jinhyuk, & Ceder, Gerbrand. Design principles for high transition metal capacity in disordered rocksalt Li-ion cathodes. United Kingdom. doi:10.1039/C8EE00816G.
Kitchaev, Daniil A., Lun, Zhengyan, Richards, William D., Ji, Huiwen, Clément, Raphaële J., Balasubramanian, Mahalingam, Kwon, Deok-Hwang, Dai, Kehua, Papp, Joseph K., Lei, Teng, McCloskey, Bryan D., Yang, Wanli, Lee, Jinhyuk, and Ceder, Gerbrand. 2018. "Design principles for high transition metal capacity in disordered rocksalt Li-ion cathodes". United Kingdom. doi:10.1039/C8EE00816G.
@article{osti_1441056,
title = {Design principles for high transition metal capacity in disordered rocksalt Li-ion cathodes},
author = {Kitchaev, Daniil A. and Lun, Zhengyan and Richards, William D. and Ji, Huiwen and Clément, Raphaële J. and Balasubramanian, Mahalingam and Kwon, Deok-Hwang and Dai, Kehua and Papp, Joseph K. and Lei, Teng and McCloskey, Bryan D. and Yang, Wanli and Lee, Jinhyuk and Ceder, Gerbrand},
abstractNote = {Design rules for high capacity disordered rocksalt Li-ion cathodes applied to the Li–Mn–V–O–F system.},
doi = {10.1039/C8EE00816G},
journal = {Energy & Environmental Science},
number = 8,
volume = 11,
place = {United Kingdom},
year = {2018},
month = {1}
}

Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996
  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Lithium Batteries and Cathode Materials
journal, October 2004
  • Whittingham, M. Stanley
  • Chemical Reviews, Vol. 104, Issue 10, p. 4271-4302
  • DOI: 10.1021/cr020731c

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

Solvents’ Critical Role in Nonaqueous Lithium–Oxygen Battery Electrochemistry
journal, May 2011
  • McCloskey, B. D.; Bethune, D. S.; Shelby, R. M.
  • The Journal of Physical Chemistry Letters, Vol. 2, Issue 10, p. 1161-1166
  • DOI: 10.1021/jz200352v