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Author:

Sun, Shao-Rui (Sun, Shao-Rui.) (Scholars:孙少瑞) | Xia, Ding-Guo (Xia, Ding-Guo.)

Indexed by:

EI Scopus SCIE

Abstract:

AgCl and AgBr are a special type of superionic conductor, whose superionic phase transition does not accompany any first-order structural phase transition. In the paper, the ionic conductivity of AgBr is investigated by the first principles calculations with VASP code. The calculated results show that the isolated charged interstitial or vacancy is always more stable than the neutral one whether the system is doped or not: the interstitial hops along < 001 > direction, and the potential barrier is 0.29 eV; the vacancy hop mainly along < 111 > direction, and the barrier is 0.16 eV: the migration barrier of vacancy is obviously lower than that of interstitial, and then the ionic conductivity is mainly due to the diffusions of vacancies. Crown Copyright (c) 2009 published by Elsevier B.V. All rights reserved.

Keyword:

AgBr The first-principle calculation Point defect Ionic conductor

Author Community:

  • [ 1 ] [Sun, Shao-Rui]Beijing Univ Technol, Environm & Energy Coll, Environm Electrochem Lab, Beijing 10022, Peoples R China
  • [ 2 ] [Xia, Ding-Guo]Beijing Univ Technol, Environm & Energy Coll, Environm Electrochem Lab, Beijing 10022, Peoples R China

Reprint Author's Address:

  • 夏定国

    [Xia, Ding-Guo]Beijing Univ Technol, Environm & Energy Coll, Environm Electrochem Lab, Beijing 10022, Peoples R China

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Source :

SOLID STATE IONICS

ISSN: 0167-2738

Year: 2009

Issue: 9-10

Volume: 180

Page: 663-666

3 . 2 0 0

JCR@2022

ESI Discipline: PHYSICS;

JCR Journal Grade:1

CAS Journal Grade:1

Cited Count:

WoS CC Cited Count: 2

SCOPUS Cited Count: 2

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 8

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