BROWSE

Related Researcher

Author

Park, Noejung
Computational Physics & Electronic Structure Lab
Research Interests
  • Electronic structure calculation, computational physics, computational material science

ITEM VIEW & DOWNLOAD

Stabilization of LiBH4 superionic phase by halide doping and H disordering

Cited 0 times inthomson ciCited 0 times inthomson ci
Title
Stabilization of LiBH4 superionic phase by halide doping and H disordering
Author
Lee, HosikPark, Noejung
Keywords
Density functional theory; Electrolyte; Hydrogen disorder; Li ion battery
Issue Date
201309
Publisher
ELSEVIER SCIENCE BV
Citation
CURRENT APPLIED PHYSICS, v.13, no.7, pp.1444 - 1447
Abstract
We performed first-principles density-functional theory calculations to investigate the structural properties and the effect of halide ion doping to the superionic-conducting, high-temperature phase and the effect of halide doping on the phase of LiBH4. It is computationally demonstrated that the superionic phase is stabilized owing to the halide doping with the large ions which fill the interlayer space of the superionic phase. The H-disordered phase is observed in the structure and is found to contribute to the stabilization of the superionic phase.
URI
http://scholarworks.unist.ac.kr/handle/201301/3261
DOI
http://dx.doi.org/10.1016/j.cap.2013.04.025
ISSN
1567-1739
Appears in Collections:
SNS_Journal Papers

find_unist can give you direct access to the published full text of this article. (UNISTARs only)

Show full item record

qr_code

  • mendeley

    citeulike

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.

MENU