Designed Giant Room-Temperature Electrocaloric Effects in Metal-Free Organic Perovskite [MDABCO](NH4)I3 by Phase–Field Simulations

Rongzhen Gao, Xiaoming Shi, Jing Wang, Guangzu Zhang, Houbing Huang*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

33 Citations (Scopus)

Abstract

Achieving a colossal room-temperature electrocaloric effect is essential for practical solid-state refrigeration applications with low-cost and high-efficiency. Here, through the design of applying external stimuli (hydrostatic pressure and misfit strain), giant room-temperature electrocaloric effects in the bulk and thin film of metal-free organic perovskite [MDABCO](NH4)I3 are obtained by using a combination of thermodynamic calculations and phase–field simulations. Under the hydrostatic pressure of 1 GPa, there emerges excellent room-temperature (300 K) electrocaloric performance with the temperature change (ΔT) of 8.41 K at 30 MV m−1 and electrocaloric strength (ΔT/ΔE) of 0.63 K m MV−1 at 10 MV m−1, respectively. The prominent electrocaloric effects of MDABCO(NH4)I3 may be related to its rapid change rates of free energy barrier height. Additionally, it can be found that some stripe domains and non-180° domain walls form in the [MDABCO](NH4)I3 bulk, which is consistent with the experimental results. This work not only provides new insights into organic perovskite [MDABCO](NH4)I3, but also guides for further developing to realize remarkable room-temperature electrocaloric cooling.

Original languageEnglish
Article number2104393
JournalAdvanced Functional Materials
Volume31
Issue number38
DOIs
Publication statusPublished - 16 Sept 2021

Keywords

  • Landau–Devonshire theory
  • domain structures
  • electrocaloric effect
  • metal–free organic perovskites
  • molecular ferroelectric
  • phase–field simulation

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