Na-ion dynamics in the solid solution NaxCa1−xCr2O4 studied by muon spin rotation and neutron diffraction,Sustainable Energy & Fuels

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Na-ion dynamics in the solid solution NaxCa1−xCr2O4 studied by muon spin rotation and neutron diffraction
Sustainable Energy & Fuels ( IF 5.0 ) Pub Date : 2024-02-20 , DOI: 10.1039/d3se01097j
Elisabetta Nocerino ₁ , Ola Kenji Forslund _{2,

3} , Hiroya Sakurai ₄ , Nami Matsubara ₁ , Anton Zubayer ₅ , Federico Mazza ₆ , Stephen Cottrell ₇ , Akihiro Koda ₈ , Isao Watanabe ₉ , Akinori Hoshikawa ₁₀ , Takashi Saito ₁₁ , Jun Sugiyama _{12,

13} , Yasmine Sassa ₁ , Martin Månsson ₁

Affiliation

Department of Applied Physics, KTH Royal Institute of Technology, SE-100 44, Stockholm, Sweden
Physik-Institut, Universität Zürich, Winterthurerstrasse 190, Zürich, CH-8057, Switzerland
Department of Physics and Astronomy, Uppsala University, Box 516, Uppsala, SE-75120, Sweden
National Institute for Materials Science, Namiki, Tsukuba, Ibaraki 305-0044, Japan
Department of Physics, Chemistry and Biology (IFM), Linköping University, SE-581 83 Linköping, Sweden
Insitute of Solid State Physics, TU Wien, Wiedner Haupstraße 8-10, AT-1040 Wien, Austria
ISIS Facility, Rutherford Appleton Laboratory, Chilton, Didcot Oxon OX11 0QX, UK
Muon Science Laboratory and Condensed Matter Research Center, Institute of Materials Structure Science, High Energy Accelerator Research Organization (KEK-IMSS), Tsukuba, Ibaraki 305-0801, Japan
Muon Science Laboratory, RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198, Japan
Frontier Research Center for Applied Atomic Sciences, Ibaraki University, IQBRC, 162-1 Shirakata, Tokai, Ibaraki 319-1106, Japan
Institute of Materials Structure Science, High Energy Accelerator Research Organization, 203-1 Shirakata, Tokai, Ibaraki 319-1107, Japan
Neutron Science and Technology Center, Comprehensive Research Organization for Science and Society (CROSS), Tokai, Ibaraki 319-1106, Japan
Advanced Science Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195, Japan

In this work we present a systematic set of measurements carried out by muon spin rotation/relaxation (μ⁺SR) and neutron powder diffraction (NPD) on the solid solution Na_xCa_1−xCr₂O₄. This study investigates Na-ion dynamics in the quasi-1D (Q1D) diffusion channels created by the honeycomb-like arrangement of CrO₆ octahedra, in the presence of defects introduced by Ca substitution. With increasing Ca content, the size of the diffusion channels is enlarged; however, this effect does not enhance the Na ion mobility. Instead the overall diffusivity is hampered by the local defects and the Na hopping probability is lowered. The diffusion mechanism in Na_xCa_1−xCr₂O₄ is proposed to be interstitial and the activation energy as well as diffusion coefficient are determined for all the members of the solid solution.

中文翻译：

通过 μ 子自旋旋转和中子衍射研究固溶体 NaxCa1−xCr2O4 中的钠离子动力学

^{在这项工作中，我们提出了通过 μ 子自旋旋转/弛豫 (μ +} SR) 和中子粉末衍射 (NPD) 对固溶体 Na _x Ca _{1− x} Cr ₂ O ₄进行的一组系统测量。_{本研究研究了在存在 Ca 取代引入的缺陷的情况下，由 CrO 6}八面体的蜂窝状排列产生的准 1D (Q1D) 扩散通道中的 Na 离子动力学。随着Ca含量的增加，扩散通道的尺寸增大；然而，这种效应并不会增强Na离子的迁移率。相反，整体扩散率受到局部缺陷的阻碍，Na 跳跃概率降低。_{Na x} Ca _{1− x} Cr ₂ O ₄中的扩散机制被认为是填隙式的，并且确定了固溶体所有成员的活化能和扩散系数。

更新日期：2024-02-20

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