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Title: Forging Fast Ion Conducting Nanochannels with Swift Heavy Ions: The Correlated Role of Local Electronic and Atomic Structure

Atomically disordered oxides have attracted significant attention in recent years due to the possibility of enhanced ionic conductivity. However, the correlation between atomic disorder, corresponding electronic structure, and the resulting oxygen diffusivity is not well understood. The disordered variants of the ordered pyrochlore structure in gadolinium titanate (Gd 2Ti 2O 7) are seen as a particularly interesting prospect due to intrinsic presence of a vacant oxygen site in the unit atomic structure, which could provide a channel for fast oxygen conduction. In this paper, we provide insights into the subangstrom scale on the disordering-induced variations in the local atomic environment and its effect on the electronic structure in high-energy ion irradiation-induced disordered nanochannels, which can be utilized as pathways for fast oxygen ion transport. With the help of an atomic plane-by-plane-resolved analyses, the work shows how the presence of various types of TiO x polyhedral that exist in the amorphous and disordered crystalline phase modify the electronic structures relative to the ordered pyrochlore phase in Gd 2Ti 2O 7. Finally, the correlated molecular dynamics simulations on the disordered structures show a remarkable enhancement in oxygen diffusivity as compared with ordered pyrochlore lattice and make that a suitable candidate for applicationsmore » requiring fast oxygen conduction.« less
Authors:
 [1] ;  [1] ;  [2] ;  [3] ;  [4] ;  [5] ;  [6] ;  [7] ;  [8] ;  [1] ;  [9] ;  [1] ;  [2] ;  [10]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Material Science and Technology Division
  2. Univ. of Tennessee, Knoxville, TN (United States). Dept. of Materials Science and Engineering
  3. Univ. of Wyoming, Laramie, WY (United States). Dept. of Mechanical Engineering
  4. Iowa State Univ., Ames, IA (United States). Dept. of Materials Science and Engineering
  5. Univ. of Tennessee, Knoxville, TN (United States). Dept. of Nuclear Engineering
  6. Chinese Academy of Sciences (CAS), Shanghai (China). State Key Lab. of Functional Material for Informatics
  7. GSI Helmholtz Centre for Heavy Ion Research, Darmstadt (Germany)
  8. (Germany). Dept. of Materials Science
  9. (United States). Dept. of Materials Science and Engineering
  10. (ORNL), Oak Ridge, TN (United States). Material Science and Technology Division
Publication Date:
Grant/Contract Number:
AC05-00OR22725; AC02-05CH11231; SC0001089
Type:
Accepted Manuscript
Journal Name:
Journal of Physical Chemistry. C
Additional Journal Information:
Journal Volume: 121; Journal Issue: 1; Journal ID: ISSN 1932-7447
Publisher:
American Chemical Society
Research Org:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Orgs:
Univ. of Wyoming, Laramie, WY (United States); Iowa State Univ., Ames, IA (United States); Chinese Academy of Sciences (CAS), Shanghai (China); GSI Helmholtz Centre for Heavy Ion Research, Darmstadt (Germany); Technical Univ. of Darmstadt (Germany)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; Ion Tracks; Nanochannels; Radiation Damage
OSTI Identifier:
1340462