Resonant phonon modes induced by molecular rotations in alpha-pentaerythritol crystals
文献类型：期刊论文
| 作者 | Wang, Simin2; Fan, Hongzhao3; Zhang, Zhe1; Sun, Liang2; Chen, Jialu3; Yang, Nuo4; Zhou, Yanguang3; Li, Bing1; Dai, Liang2 |
| 刊名 | JOURNAL OF MATERIALS CHEMISTRY C
 |
| 出版日期 | 2022-10-13 |
| 卷号 | 10期号:39页码:14431-14438 |
| ISSN号 | 2050-7526 |
| DOI | 10.1039/d2tc02878f |
| 通讯作者 | Zhou, Yanguang(maeygzhou@ust.hk) ; Li, Bing(bingli@imr.ac.cn) ; Dai, Liang(liangdai@cityu.edu.hk) |
| 英文摘要 | 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 |
| 语种 | 英语 |
| 出版者 | ROYAL SOC CHEMISTRY |
| WOS记录号 | WOS:000862306300001 |
| 资助机构 | National Natural Science Foundation of China ; City University of Hong Kong ; Guangdong-Hong Kong-Macao Joint Laboratory for Neutron Scattering Science and Technology |
| 源URL | [http://ir.imr.ac.cn/handle/321006/175961]  |
| 专题 | 金属研究所_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.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab SYNL Mat Sci, Shenyang 110016, Peoples R China 2.City Univ Hong Kong, Dept Phys, Kowloon, Hong Kong 999077, Peoples R China 3.Hong Kong Univ Sci & Technol, Dept Mech & Aerosp Engn, Clear Water Bay, Hong Kong 999077, 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. |
入库方式： OAI收割
来源：金属研究所
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