Resonant phonon modes induced by molecular rotations in alpha-pentaerythritol crystals

doi:10.1039/d2tc02878f

IMR OpenIR

	Resonant phonon modes induced by molecular rotations in alpha-pentaerythritol crystals
	Wang, Simin 1; Fan, Hongzhao 2; Zhang, Zhe 3; Sun, Liang 1; Chen, Jialu 2; Yang, Nuo 4; Zhou, Yanguang 2; Li, Bing 3; Dai, Liang 1
通讯作者	Zhou, Yanguang(maeygzhou@ust.hk) ; Li, Bing(bingli@imr.ac.cn) ; Dai, Liang(liangdai@cityu.edu.hk)
	2022-10-13
发表期刊	JOURNAL OF MATERIALS CHEMISTRY C
ISSN	2050-7526
卷号	10 期号:39 页码:14431-14438
摘要	Solid-state cooling employing barocaloric materials, especially plastic crystals, paves a promising way for eco-friendly refrigeration. However, inadequate understanding of the thermal properties hinders their practical applications. Here, we take alpha-pentaerythritol crystals as an example and reveal that the thermal transport is anisotropic, and the lattice dynamics is highly anharmonic. More importantly, we find that the two lowest-energy resonant phonon modes, associated with two mutually perpendicular molecular rotations, play critical roles in thermal conductivity and phase stability. The two optical modes suppress the acoustic branches by the avoided-crossing effect and hybridize with and strongly scatter acoustic phonons, further hindering thermal transport in alpha-pentaerythritol crystals. Furthermore, pressure can largely tune the rotational dynamics, reduce the resonance, and increase the phonon transmission and by adjusting the pressure from 0 MPa to 3500 MPa, an increase of 108% and 103% in in-plane and out-of-plane thermal conductivity, respectively, can be achieved. Our work provides a microscopic understanding of the rotational dynamics in alpha-pentaerythritol crystals, which can facilitate designing molecules to achieve a better barocaloric effect with more excellent thermal properties.
资助者	National Natural Science Foundation of China ; City University of Hong Kong ; Guangdong-Hong Kong-Macao Joint Laboratory for Neutron Scattering Science and Technology
DOI	10.1039/d2tc02878f
收录类别	SCI
语种	英语
资助项目	National Natural Science Foundation of China[21973080] ; National Natural Science Foundation of China[11804346] ; City University of Hong Kong[9610420] ; Guangdong-Hong Kong-Macao Joint Laboratory for Neutron Scattering Science and Technology[HT-CSNS-DG-CD-0085/2021]
WOS研究方向	Materials Science ; Physics
WOS类目	Materials Science, Multidisciplinary ; Physics, Applied
WOS记录号	WOS:000862306300001
出版者	ROYAL SOC CHEMISTRY
引用统计	被引频次：5[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/321006/175962
专题	中国科学院金属研究所
通讯作者	Zhou, Yanguang; Li, Bing; Dai, Liang
作者单位	1.City Univ Hong Kong, Dept Phys, Kowloon, Hong Kong 999077, Peoples R China 2.Hong Kong Univ Sci & Technol, Dept Mech & Aerosp Engn, Clear Water Bay, Hong Kong 999077, Peoples R China 3.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab SYNL Mat Sci, Shenyang 110016, Peoples R China 4.Huazhong Univ Sci & Technol, Sch Energy & Power Engn, Wuhan 430074, Peoples R China
推荐引用方式 GB/T 7714	Wang, Simin,Fan, Hongzhao,Zhang, Zhe,et al. Resonant phonon modes induced by molecular rotations in alpha-pentaerythritol crystals[J]. JOURNAL OF MATERIALS CHEMISTRY C,2022,10(39):14431-14438.
APA	Wang, Simin.,Fan, Hongzhao.,Zhang, Zhe.,Sun, Liang.,Chen, Jialu.,...&Dai, Liang.(2022).Resonant phonon modes induced by molecular rotations in alpha-pentaerythritol crystals.JOURNAL OF MATERIALS CHEMISTRY C,10(39),14431-14438.
MLA	Wang, Simin,et al."Resonant phonon modes induced by molecular rotations in alpha-pentaerythritol crystals".JOURNAL OF MATERIALS CHEMISTRY C 10.39(2022):14431-14438.