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一种关于阳离子在蜂窝状层状氧化物框架中扩散的几何与拓扑的理想化方法。

An idealised approach of geometry and topology to the diffusion of cations in honeycomb layered oxide frameworks.

作者信息

Kanyolo Godwill Mbiti, Masese Titus

机构信息

Department of Engineering Science, The University of Electro-Communications 1-5-1 Chofugaoka, Chofu, Tokyo, 182-8585, Japan.

Research Institute of Electrochemical Energy (RIECEN), National Institute of Advanced Industrial Science and Technology (AIST), 1-8-31 Midorigaoka, Ikeda, Osaka, 563-8577, Japan.

出版信息

Sci Rep. 2020 Aug 6;10(1):13284. doi: 10.1038/s41598-020-70019-9.

DOI:10.1038/s41598-020-70019-9
PMID:32764587
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7413565/
Abstract

Honeycomb layered oxides are a novel class of nanostructured materials comprising alkali or coinage metal atoms intercalated into transition metal slabs. The intricate honeycomb architecture and layered framework endows this family of oxides with a tessellation of features such as exquisite electrochemistry, unique topology and fascinating electromagnetic phenomena. Despite having innumerable functionalities, these materials remain highly underutilised as their underlying atomistic mechanisms are vastly unexplored. Therefore, in a bid to provide a more in-depth perspective, we propose an idealised diffusion model of the charged alkali cations (such as lithium, sodium or potassium) in the two-dimensional (2D) honeycomb layers within the multi-layered crystal of honeycomb layered oxide frameworks. This model not only explains the correlation between the excitation of cationic vacancies (by applied electromagnetic fields) and the Gaussian curvature deformation of the 2D surface, but also takes into consideration, the quantum properties of the cations and their inter-layer mixing through quantum tunnelling. Through this work, we offer a novel theoretical framework for the study of multi-layered materials with 2D cationic diffusion currents, as well as providing pedagogical insights into the role of topological phase transitions in these materials in relation to Brownian motion and quantum geometry.

摘要

蜂窝状层状氧化物是一类新型的纳米结构材料,由插入过渡金属板中的碱金属或碱金属原子组成。复杂的蜂窝状结构和层状框架赋予了这类氧化物一系列独特的特性,如优异的电化学性能、独特的拓扑结构和迷人的电磁现象。尽管这些材料具有无数的功能,但由于其潜在的原子机制尚未得到充分探索,它们的利用率仍然很低。因此,为了提供更深入的见解,我们提出了一个理想化的扩散模型,用于描述带电碱金属阳离子(如锂、钠或钾)在蜂窝状层状氧化物框架多层晶体中的二维(2D)蜂窝层中的扩散。该模型不仅解释了(通过施加电磁场)阳离子空位的激发与二维表面高斯曲率变形之间的相关性,还考虑了阳离子的量子特性及其通过量子隧穿的层间混合。通过这项工作,我们为研究具有二维阳离子扩散电流的多层材料提供了一个新颖的理论框架,并对这些材料中拓扑相变与布朗运动和量子几何相关的作用提供了教学上的见解。

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