TY - JOUR
T1 - Designed Giant Room-Temperature Electrocaloric Effects in Metal-Free Organic Perovskite [MDABCO](NH4)I3 by Phase–Field Simulations
AU - Gao, Rongzhen
AU - Shi, Xiaoming
AU - Wang, Jing
AU - Zhang, Guangzu
AU - Huang, Houbing
N1 - Publisher Copyright:
© 2021 Wiley-VCH GmbH
PY - 2021/9/16
Y1 - 2021/9/16
N2 - 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.
AB - 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.
KW - Landau–Devonshire theory
KW - domain structures
KW - electrocaloric effect
KW - metal–free organic perovskites
KW - molecular ferroelectric
KW - phase–field simulation
UR - http://www.scopus.com/inward/record.url?scp=85108852292&partnerID=8YFLogxK
U2 - 10.1002/adfm.202104393
DO - 10.1002/adfm.202104393
M3 - Article
AN - SCOPUS:85108852292
SN - 1616-301X
VL - 31
JO - Advanced Functional Materials
JF - Advanced Functional Materials
IS - 38
M1 - 2104393
ER -