摘要/Abstract

富碳型材料，包括纯碳材料的各种同素异形体、碳基骨架的稠环芳香分子、聚合物、框架材料等，已成为当今材料领域最重要的研究领域之一.在这些研究当中，很大一部分工作都是研究材料本身的结构与性质，而忽略了这些材料之间的内在联系.课本中的很多概念，如同分异构体、同素异形体和拓扑缺陷，已经无法用于深入理解种类和数量繁多的富碳型材料之间的构效关系.这就使得通过改变已知材料的有限结构来调控材料的性质变得工作重复而繁重，且基础理解受限于研究个体上.作者将从材料"熵"的概念入手，尝试理解富碳型材料之间熵的相对高低，并建议基于"介熵"的认识开发新型富碳型材料、开发新型介熵富碳型材料的全新性质.基于对具体的不同的新型富碳型材料的讨论，将"介熵"这一概念引入到同素异形体、同分异构体以及广泛存在于碳材料中的拓扑缺陷的理解上.类似富碳型材料的关系不再模糊地停留在几何结构层面上，为今后介熵富碳型材料及其他介熵材料的开发提供参考.
关键词: 介熵, 碳, 高分子, 构效关系, 制备
Carbon-enriched materials, including carbon allotropes, polycyclic aromatic hydrocarbons, polymers, frameworks, etc., are rising as stars in functional materials field. Large amount of reported work focused on development of new structures with typical features for novel applications, and has long ignored the intrinsic relationship between similar structures. The superficial relationships of those carbon-enriched materials in textbook, e.g., isomers, allotropes and topological defects, are no longer enough for fundamental understanding the structure-property relationship study due to more and more carbon-enriched materials have been developed. Such disadvantage has long hindered development of new materials based on well-established material systems. In this work, meso-entropy concept is proposed for understanding and development of different kinds of carbon-enriched materials by comparing their relative entropy values. Based on theoretical models and case-to-case discussion, meso-entropy concept has been found compatible with the concept of isomers, allotropes and topological defects in carbon-enriched materials. From now on, hopefully, the meso-entropy defined relationship for carbon-enriched materials will be no longer staying at the geometric level, and provide new thinking development of new carbon-enriched materials and other meso-entropy materials.
Key words: meso-entropy, carbon, polymer, structure-property relationship, preparation


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