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Author:

Zhao, Jiping (Zhao, Jiping.) | Zhang, Xin (Zhang, Xin.) | Liu, Hongliang (Liu, Hongliang.) | Xiao, Yixin (Xiao, Yixin.) | Jiang, Hao (Jiang, Hao.) | Zhang, Jiuxing (Zhang, Jiuxing.)

Indexed by:

EI Scopus SCIE

Abstract:

The Sr doped (Ca1-xSrx)(12)Al14O33[(C1-xSx)12A7] (x = 0, 0.01, 0.02, 0.03, 0.04, 0.05) polycrystals were successfully prepared by the melt-solidification combining spark plasma sintering (SPS) process. The electrides were obtained by thermal treatment with Ti particles at 1100 degrees C for 20h. The electrical properties and electronic structure were systematically studied. The free oxygen ions of Sr doped samples were easier substituted by electrons. (Ca0.96Sr0.04)(12)Al14O33:e- sample possesses the highest electrical conductivity at room temperature (RT) (approximate to 1136S/cm) and electron concentration [approximate to(2.13 +/- 0.11) x 10(21)cm(-3)] was obtained, which was above one magnitude higher than that of nondoped sample. The calculated electronic structure showed that Sr-doping increased the density of state near the Fermi level of (C0.96S0.04)12A7:e-. The level of frame conduction band (FCB) decreased compared to Ca12Al14O33:e-.The large density of state of (C0.96S0.04)12A7:e- was mainly contributed by Sr 4p,5s, Ca 3d,4s and Al 3p.

Keyword:

electrical properties melt solidification (C1-xSx)12A7:e(-) first-principles

Author Community:

  • [ 1 ] [Zhao, Jiping]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 2 ] [Zhang, Xin]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 3 ] [Liu, Hongliang]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 4 ] [Xiao, Yixin]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 5 ] [Jiang, Hao]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 6 ] [Zhang, Jiuxing]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 7 ] [Zhang, Jiuxing]Hefei Univ Technol, Sch Mat Sci & Engn, Hefei 230009, Anhui, Peoples R China

Reprint Author's Address:

  • [Zhang, Xin]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China

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Source :

CRYSTAL RESEARCH AND TECHNOLOGY

ISSN: 0232-1300

Year: 2018

Issue: 1

Volume: 53

1 . 5 0 0

JCR@2022

ESI Discipline: CHEMISTRY;

ESI HC Threshold:192

JCR Journal Grade:3

Cited Count:

WoS CC Cited Count: 7

SCOPUS Cited Count: 9

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 2

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