Sheka Elena F
Institute of Physical Researches and Technology, Peoples' Friendship University of Russia (RUDN University), 117198 Moscow, Russia.
Nanomaterials (Basel). 2023 May 15;13(10):1648. doi: 10.3390/nano13101648.
Presented is a concentrated synopsis of facilities of empirical and virtual analytics that, once applied, have provided a fully new vision of amorphous carbons. This study proved that the solids are multilevel structures, started with the first-level basic structural units (BSUs) and accomplished as macroscopic agglomerates of globular structures, consisting, in its turn, of stacked BSUs. BSUs present necklaced graphene molecules, size, and shape of which are governed by the relevant graphene domains while chemical composition in addition to basic carbon is controlled with heteroatoms of the necklaces. This study shows that BSUs and stacks of BSUs determine the short-range order of the solids and are the main subject of the applied analytics. The synopsis consists of two parts related to empirical and virtual analytics. The former is composed of sections related to structural determination, total and atomic chemical content evaluation and elicitation of the covalent bond composition. The second presents new analytic approaches based on the Digital Twins concept and virtual vibrational spectrometry. The synopsis is configured as an atlas composed of generalized pictures accompanied with necessary explanations to be discussed in detail in the extended references.
本文呈现了经验分析和虚拟分析工具的浓缩概要,这些工具一旦应用,便为非晶碳提供了全新的视角。本研究证明,这些固体是多级结构,始于一级基本结构单元(BSU),并最终形成球状结构的宏观聚集体,而球状结构又是由堆叠的BSU组成。BSU呈现出项链状的石墨烯分子,其尺寸和形状由相关的石墨烯域决定,而除基本碳之外的化学成分则由项链的杂原子控制。本研究表明,BSU和BSU堆叠决定了固体的短程有序性,并且是应用分析的主要对象。该概要由与经验分析和虚拟分析相关的两部分组成。前者由与结构测定、总化学含量和原子化学含量评估以及共价键组成推导相关的章节组成。第二部分介绍了基于数字孪生概念和虚拟振动光谱的新分析方法。该概要被构建为一本图集,由概括性图片以及必要的解释组成,这些将在扩展参考文献中详细讨论。