Understanding colossal barocaloric effects in plastic crystals

doi:10.1038/s41467-020-18043-1

IMR OpenIR

	Understanding colossal barocaloric effects in plastic crystals
	Li, F. B.; Li, M.; Xu, X.; Yang, Z. C.; Xu, H.; Jia, C. K.; Li, K.; He, J.; Li, B.; Wang, Hui
	2020-08-21
发表期刊	NATURE COMMUNICATIONS
卷号	11 期号:1
摘要	Plastic crystal neopentylglycol (NPG) exhibits colossal barocaloric effects (BCEs) with record-high entropy changes, offering exciting prospects for the field of solid-state cooling through the application of moderate pressures. Here, we show that the intermolecular hydrogen bond plays a key role in the orientational order of NPG molecules, while its broken due to thermal perturbation prominently weakens the activation barrier of orientational disorder. The analysis of hydrogen bond strength, rotational entropy free energy and entropy changes provides insightful understanding of BCEs in order-disorder transition. External pressure reduce the hydsrogen bond length and enhance the activation barrier of orientational disorder, which serves as a route of varying intermolecular interaction to tune the order-disorder transition. Our work provides atomic-scale insights on the orientational order-disorder transition of NPG as the prototypical plastic crystal with BCEs, which is helpful to achieve superior caloric materials by molecular designing in the near future. Colossal barocaloric effects with high entropy changes is reported in plastic crystal neopentylglycol, while microscopic mechanism needs to be further explored. Here, the authors show hydrogen bond related reorientational dynamics of neopentylglycol and provide insights in order-disorder transition.
DOI	10.1038/s41467-020-18043-1
WOS记录号	WOS:000569766000016
引用统计	被引频次：44[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/155680
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Li, F. B.,Li, M.,Xu, X.,et al. Understanding colossal barocaloric effects in plastic crystals[J]. NATURE COMMUNICATIONS,2020,11(1).
APA	Li, F. B..,Li, M..,Xu, X..,Yang, Z. C..,Xu, H..,...&Wang, Hui.(2020).Understanding colossal barocaloric effects in plastic crystals.NATURE COMMUNICATIONS,11(1).
MLA	Li, F. B.,et al."Understanding colossal barocaloric effects in plastic crystals".NATURE COMMUNICATIONS 11.1(2020).