Giant room temperature elastocaloric effect in metal-free thin-film perovskites

Cheng Li, Yu Hui Huang, Jian Jun Wang, Bo Wang, Yong Jun Wu, He Tian, Long Qing Chen, Zijian Hong

Research output: Contribution to journalArticlepeer-review

Abstract

Solid-state refrigeration which is environmentally benign has attracted considerable attention. Mechanocaloric (mC) materials, in which the phase transitions can be induced by mechanical stresses, represent one of the most promising types of solid-state caloric materials. Herein, we have developed a thermodynamic phenomenological model and predicted extraordinarily large elastocaloric (eC) strengths for the (111)-oriented metal-free perovskite ferroelectric [MDABCO](NH4)I3 thin-films. The predicted room temperature isothermal eC ΔSeC/Δσ (eC entropy change under unit stress change) and adiabatic eC ΔTeC/Δσ (eC temperature change under unit stress change) for [MDABCO](NH4)I3 are −60.0 J K−1 kg−1 GPa−1 and 17.9 K GPa−1, respectively, which are 20 times higher than the traditional ferroelectric oxides such as BaTiO3 thin films. We have also demonstrated that the eC performance can be improved by reducing the Young’s modulus or enhancing the thermal expansion coefficient (which could be realized through chemical doping, etc.). We expect these discoveries to spur further interest in the potential applications of metal-free organic ferroelectrics materials towards next-generation eC refrigeration devices.

Original languageEnglish (US)
Article number132
Journalnpj Computational Materials
Volume7
Issue number1
DOIs
StatePublished - Dec 2021

All Science Journal Classification (ASJC) codes

  • Modeling and Simulation
  • Materials Science(all)
  • Mechanics of Materials
  • Computer Science Applications

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