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
Source PublicationNATURE COMMUNICATIONS
Volume11Issue:1
AbstractPlastic 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.
DOI10.1038/s41467-020-18043-1
WOS IDWOS:000569766000016
Citation statistics
Cited Times:7[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/155680
Collection中国科学院金属研究所
Recommended Citation
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).
Files in This Item:
There are no files associated with this item.
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Li, F. B.]'s Articles
[Li, M.]'s Articles
[Xu, X.]'s Articles
Baidu academic
Similar articles in Baidu academic
[Li, F. B.]'s Articles
[Li, M.]'s Articles
[Xu, X.]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Li, F. B.]'s Articles
[Li, M.]'s Articles
[Xu, X.]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.