Baumler Katelyn J, Schaak Raymond E
Department of Chemistry, Department of Chemical Engineering, and Materials Research Institute, The Pennsylvania State University, University Park, Pennsylvania 16802, United States.
ACS Nanosci Au. 2024 May 17;4(5):290-316. doi: 10.1021/acsnanoscienceau.4c00010. eCollection 2024 Oct 16.
Crystal structures underpin many aspects of nanoscience and technology, from the arrangements of atoms in nanoscale materials to the ways in which nanoscale materials form and grow to the structures formed when nanoscale materials interact with each other and assemble. The impacts of crystal structures and their relationships to one another in nanoscale materials systems are vast. This Tutorial provides nanoscience researchers with highlights of many crystal structures that are commonly observed in nanoscale materials systems, as well as an overview of the tools and concepts that help to derive, describe, visualize, and rationalize key structural features. The scope of materials focuses on the elements and their compounds that are most frequently encountered as nanoscale materials, including both close-packed and nonclose-packed structures. Examples include three-dimensionally and two-dimensionally bonded compounds related to the rocksalt, nickel arsenide, fluorite, zincblende, wurtzite, cesium chloride, and perovskite structures, as well as layered perovskites, intergrowth compounds, MXenes, transition metal dichalcogenides, and other layered materials. Ordered versus disordered structures, high entropy materials, and instructive examples of more complex structures, including copper sulfides, are also discussed to demonstrate how structural visualization tools can be applied. The overall emphasis of this Tutorial is on the ways in which complex structures are derived from simpler building blocks, as well as the similarities and interrelationships among certain classes of structures that, at first glance, may be interpreted as being very different. Identifying and appreciating these structural relationships is useful to nanoscience researchers, as it allows them to deconstruct complex structures into simpler components, which is important for designing, understanding, and using nanoscale materials.
晶体结构支撑着纳米科学与技术的诸多方面，从纳米级材料中原子的排列方式，到纳米级材料的形成与生长方式，再到纳米级材料相互作用和组装时形成的结构。晶体结构及其在纳米级材料系统中相互之间的关系影响巨大。本教程为纳米科学研究人员提供了纳米级材料系统中常见的许多晶体结构的要点，以及有助于推导、描述、可视化和合理化关键结构特征的工具和概念概述。材料范围聚焦于作为纳米级材料最常遇到的元素及其化合物，包括密堆积和非密堆积结构。示例包括与岩盐、砷化镍、萤石、闪锌矿、纤锌矿、氯化铯和钙钛矿结构相关的三维和二维键合化合物，以及层状钙钛矿、共生化合物、MXenes、过渡金属二硫属化物和其他层状材料。还讨论了有序与无序结构、高熵材料以及更复杂结构（包括硫化铜）的示例，以展示如何应用结构可视化工具。本教程的总体重点在于复杂结构如何从更简单的构建单元衍生而来，以及某些乍一看可能被认为非常不同的结构类别之间的相似性和相互关系。识别和理解这些结构关系对纳米科学研究人员很有用，因为这使他们能够将复杂结构解构为更简单的组件，这对于设计、理解和使用纳米级材料很重要。
