Kanyolo Godwill Mbiti, Masese Titus
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.
Sci Rep. 2022 Apr 19;12(1):6465. doi: 10.1038/s41598-022-10226-8.
Layered materials tend to exhibit intriguing crystalline symmetries and topological characteristics based on their two dimensional (2D) geometries and defects. We consider the diffusion dynamics of positively charged ions (cations) localized in honeycomb lattices within layered materials when an external electric field, non-trivial topologies, curvatures and cationic vacancies are present. The unit (primitive) cell of the honeycomb lattice is characterized by two generators, [Formula: see text] of modular symmetries in the special linear group with integer entries, corresponding to discrete re-scaling and rotations respectively. Moreover, applying a 2D conformal metric in an idealized model, we can consistently treat cationic vacancies as topological defects in an emergent manifold. The framework can be utilized to elucidate the molecular dynamics of the cations in exemplar honeycomb layered frameworks and the role of quantum geometry and topological defects not only in the diffusion process such as prediction of conductance peaks during cationic (de-)intercalation process, but also pseudo-spin and pseudo-magnetic field degrees of freedom on the cationic honeycomb lattice responsible for bilayers.
基于其二维（2D）几何结构和缺陷，层状材料往往呈现出引人入胜的晶体对称性和拓扑特性。当存在外部电场、非平凡拓扑结构、曲率和阳离子空位时，我们考虑层状材料中位于蜂窝晶格内的带正电离子（阳离子）的扩散动力学。蜂窝晶格的单位（原胞）由两个生成元表征，它们分别对应于具有整数项的特殊线性群中的模对称性，分别对应于离散重新缩放和旋转。此外，在理想化模型中应用二维共形度量，我们可以将阳离子空位一致地视为涌现流形中的拓扑缺陷。该框架可用于阐明典型蜂窝层状框架中阳离子的分子动力学，以及量子几何和拓扑缺陷不仅在扩散过程中的作用，例如在阳离子（脱）嵌入过程中电导峰的预测，还可用于阐明负责双层的阳离子蜂窝晶格上的赝自旋和赝磁场自由度。
