Butler Keith T, Walsh Aron, Cheetham Anthony K, Kieslich Gregor
Centre for Sustainable Chemical Technologies , Department of Chemistry , University of Bath , Bath BA2 7AY , UK . Email:
WPI-Advanced Institute for Materials Research , Tohoku University , 2-2-1 Katahira , Aoba-ku, Sendai 980-8577 , Japan.
Chem Sci. 2016 Oct 1;7(10):6316-6324. doi: 10.1039/c6sc02199a. Epub 2016 Jul 5.
Entropy is one of the fundamental quantities which links emerging research areas like flexibility and defect engineering in inorganic-organic hybrid materials. Additionally, a delicate balance between entropy and enthalpy can lead to intriguing temperature-driven transitions in such materials. Here, we briefly overview traditional material design principles, highlight the role of entropy in the past and discuss how computational methods can help us to understand and quantify entropic effects in inorganic-organic hybrid materials in the future.
熵是将无机-有机杂化材料中诸如柔韧性和缺陷工程等新兴研究领域联系起来的基本量之一。此外,熵与焓之间的微妙平衡会导致此类材料中出现有趣的温度驱动转变。在此,我们简要概述传统的材料设计原则,强调熵在过去所起的作用,并讨论计算方法如何在未来帮助我们理解和量化无机-有机杂化材料中的熵效应。