Understanding colossal barocaloric effects in plastic crystals

doi:10.1038/s41467-020-18043-1

CORC > 金属研究所 > 中国科学院金属研究所

	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
刊名	NATURE COMMUNICATIONS
	2020-08-21
卷号	11 期号:1
DOI	10.1038/s41467-020-18043-1
英文摘要	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.
WOS记录号	WOS:000569766000016
内容类型	期刊论文
源URL	[http://ir.imr.ac.cn/handle/321006/155680]
专题	金属研究所_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).