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Understanding colossal barocaloric effects in plastic crystals

Author

Listed:
  • F. B. Li

    (Central South University)

  • M. Li

    (Central South University)

  • X. Xu

    (Central South University)

  • Z. C. Yang

    (Central South University)

  • H. Xu

    (Changsha University of Science & Technology)

  • C. K. Jia

    (Changsha University of Science & Technology)

  • K. Li

    (Center for High Pressure Science and Technology Advanced Research)

  • J. He

    (Central South University)

  • B. Li

    (Shenyang National Laboratory (SYNL) for Materials Science, Institute of Metal Research, Chinese Academy of Sciences)

  • Hui Wang

    (Central South University)

Abstract

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.

Suggested Citation

  • F. B. Li & M. Li & X. Xu & Z. C. Yang & H. Xu & C. K. Jia & K. Li & J. He & B. Li & Hui Wang, 2020. "Understanding colossal barocaloric effects in plastic crystals," Nature Communications, Nature, vol. 11(1), pages 1-8, December.
    • Handle: RePEc:nat:natcom:v:11:y:2020:i:1:d:10.1038_s41467-020-18043-1
    DOI: 10.1038/s41467-020-18043-1
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    Cited by:

    1. Abel Brodeur & David Gray & Anik Islam & Suraiya Bhuiyan, 2021. "A literature review of the economics of COVID‐19," Journal of Economic Surveys, Wiley Blackwell, vol. 35(4), pages 1007-1044, September.
    2. Prakash, Navendu & Srivastava, Bhavya & Singh, Shveta & Sharma, Seema & Jain, Sonali, 2022. "Effectiveness of social distancing interventions in containing COVID-19 incidence: International evidence using Kalman filter," Economics & Human Biology, Elsevier, vol. 44(C).
    3. Yi-Hong Gao & Dong-Hui Wang & Feng-Xia Hu & Qing-Zhen Huang & You-Ting Song & Shuai-Kang Yuan & Zheng-Ying Tian & Bing-Jie Wang & Zi-Bing Yu & Hou-Bo Zhou & Yue Kan & Yuan Lin & Jing Wang & Yun-liang , 2024. "Low pressure reversibly driving colossal barocaloric effect in two-dimensional vdW alkylammonium halides," Nature Communications, Nature, vol. 15(1), pages 1-13, December.
    4. Dai, Zhaofeng & She, Xiaohui & Wang, Chen & Ding, Yulong & Li, Yongliang & Zhang, Xiaosong & Zhao, Dongliang, 2024. "Dynamic simulation and performance analysis of a solid-state barocaloric refrigeration system," Energy, Elsevier, vol. 294(C).
    5. Shin-ichi Ohkoshi & Kosuke Nakagawa & Marie Yoshikiyo & Asuka Namai & Kenta Imoto & Yugo Nagane & Fangda Jia & Olaf Stefanczyk & Hiroko Tokoro & Junhao Wang & Takeshi Sugahara & Kouji Chiba & Kazuhiko, 2023. "Giant adiabatic temperature change and its direct measurement of a barocaloric effect in a charge-transfer solid," Nature Communications, Nature, vol. 14(1), pages 1-12, December.

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