Ca2+ conduction in melilite structure type compound Ca2Ga2SiO7

IF 3.3 4区材料科学 Q3 CHEMISTRY, PHYSICAL

Solid State Ionics Pub Date : 2025-09-25 DOI:10.1016/j.ssi.2025.117028

Koichiro Fukuda, Aya Miyasawa, Daisuke Urushihara, Toru Asaka

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引用次数: 0

Abstract

The potential for Ca²⁺ conduction along the 〈001〉 and 〈110〉 directions in the melilite structure type compound Ca₂Ga₂SiO₇ (space group P

\bar{4}

2₁m) has been elucidated through the utilization of the bond valence energy landscape method. The randomly grain-oriented polycrystal exhibited an increase in bulk conductivity for Ca²⁺ (σ_bulk) from 6.24 × 10⁻¹⁰ S cm⁻¹ at 573 K to 2.09 × 10⁻⁵ S cm⁻¹ at 1073 K, with an activation energy of 1.146(10) eV. The transference number at 1073 K was 0.982. The σ_bulk-value of Ca₂Ga₂SiO₇ at each temperature from 673 to 1073 K was intermediate between those of the grossite structure type compounds CaGa₄O₇ and CaAl₄O₇, while the σ_bulk-value of the NASICON-type compound (Ca_0.05Hf_0.9)_4/3.9Nb(PO₄)₃ at each temperature from 573 to 873 K was superior to those of these three compounds. The total conductivity for Ca²⁺ of Ca₂Ga₂SiO₇ was more than 12.4 times larger than that of the NASICON-type compound CaZr₄(PO₄)₆ at each temperature from 923 to 1073 K.

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钙离子在镁铝石结构型化合物Ca2Ga2SiO7中的传导

利用键价能景观法，研究了钙离子在立方石结构型化合物Ca2Ga2SiO7（空间群P4¯21m）中沿< 001 >和< 110 >方向的传导电位。随机晶粒取向的多晶Ca2+的体电导率（σbulk）从573 K时的6.24 × 10−10 S cm−1增加到1073 K时的2.09 × 10−5 S cm−1，活化能为1.146(10)eV。1073 K时迁移数为0.982。Ca2Ga2SiO7在673 ~ 1073 K温度下的σ体积值介于复合结构型化合物CaGa4O7和CaAl4O7之间，而nasicon型化合物（Ca0.05Hf0.9）4/3.9Nb(PO4)3在573 ~ 873 K温度下的σ体积值优于上述3种化合物。在923 ~ 1073 K的温度范围内，Ca2Ga2SiO7的Ca2+总电导率是nasicon型化合物CaZr4(PO4)6的12.4倍以上。

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来源期刊

Solid State Ionics 物理-物理：凝聚态物理

CiteScore

6.10

自引率

3.10%

发文量

152

审稿时长

58 days

期刊介绍： This interdisciplinary journal is devoted to the physics, chemistry and materials science of diffusion, mass transport, and reactivity of solids. The major part of each issue is devoted to articles on: (i) physics and chemistry of defects in solids; (ii) reactions in and on solids, e.g. intercalation, corrosion, oxidation, sintering; (iii) ion transport measurements, mechanisms and theory; (iv) solid state electrochemistry; (v) ionically-electronically mixed conducting solids. Related technological applications are also included, provided their characteristics are interpreted in terms of the basic solid state properties. Review papers and relevant symposium proceedings are welcome.