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Fe2(MoO4)3中离散的锂占据与准连续的钠占据及其与结构变化行为的关系。

Discrete Li-occupation versus pseudo-continuous Na-occupation and their relationship with structural change behaviors in Fe2(MoO4)3.

作者信息

Yue Ji-Li, Zhou Yong-Ning, Shi Si-Qi, Shadike Zulipiya, Huang Xuan-Qi, Luo Jun, Yang Zhen-Zhong, Li Hong, Gu Lin, Yang Xiao-Qing, Fu Zheng-Wen

机构信息

Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials, Department of Chemistry &Laser Chemistry Institute, Fudan University, Shanghai 200433, P.R. China.

Departmentof Chemistry, Brookhaven National Laboratory, Upton, New York 11973, USA.

出版信息

Sci Rep. 2015 Mar 6;5:8810. doi: 10.1038/srep08810.

DOI:10.1038/srep08810
PMID:25744589
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4351542/
Abstract

The key factors governing the single-phase or multi-phase structural change behaviors during the intercalation/deintercalation of guest ions have not been well studied and understood yet. Through systematic studies of orthorhombic Fe2(MoO4)3 electrode, two distinct guest ion occupation paths, namely discrete one for Li and pseudo-continuous one for Na, as well as their relationship with single-phase and two-phase modes for Na(+) and Li(+), respectively during the intercalation/deintercalation process have been demonstrated. For the first time, the direct atomic-scale observation of biphasic domains (discrete occupation) in partially lithiated Fe2(MoO4)3 and the one by one Na occupation (pseudo-continuous occupation) at 8d sites in partially sodiated Fe2(MoO4)3 are obtained during the discharge processes of Li/Fe2(MoO4)3 and Na/Fe2(MoO4)3 cells respectively. Our combined experimental and theoretical studies bring the new insights for the research and development of intercalation compounds as electrode materials for secondary batteries.

摘要

在客体离子嵌入/脱嵌过程中,控制单相或多相结构变化行为的关键因素尚未得到充分研究和理解。通过对正交晶系Fe2(MoO4)3电极的系统研究,证明了两种不同的客体离子占据路径,即锂的离散路径和钠的准连续路径,以及它们分别与钠(+)和锂(+)在嵌入/脱嵌过程中的单相和两相模式的关系。首次在Li/Fe2(MoO4)3和Na/Fe2(MoO4)3电池的放电过程中,分别观察到部分锂化的Fe2(MoO4)3中的双相域(离散占据)和部分钠化的Fe2(MoO4)3中8d位点上钠的逐个占据(准连续占据)的直接原子尺度图像。我们的实验和理论相结合的研究为作为二次电池电极材料的嵌入化合物的研发带来了新的见解。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bbbc/4351542/334b72c3d343/srep08810-f6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bbbc/4351542/b42d096705b5/srep08810-f1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bbbc/4351542/d12859328221/srep08810-f2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bbbc/4351542/3fea0e0da079/srep08810-f3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bbbc/4351542/aed9719d9a6a/srep08810-f4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bbbc/4351542/759c3023c9be/srep08810-f5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bbbc/4351542/334b72c3d343/srep08810-f6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bbbc/4351542/b42d096705b5/srep08810-f1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bbbc/4351542/d12859328221/srep08810-f2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bbbc/4351542/3fea0e0da079/srep08810-f3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bbbc/4351542/aed9719d9a6a/srep08810-f4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bbbc/4351542/759c3023c9be/srep08810-f5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bbbc/4351542/334b72c3d343/srep08810-f6.jpg

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