TY - JOUR
T1 - Antiferroelectric Phase Diagram Enhancing Energy-Storage Performance by Phase-Field Simulations
AU - Xu, Ke
AU - Shi, Xiaoming
AU - Dong, Shouzhe
AU - Wang, Jing
AU - Huang, Houbing
N1 - Publisher Copyright:
© 2022 American Chemical Society. All rights reserved.
PY - 2022/6/8
Y1 - 2022/6/8
N2 - Antiferroelectric materials have shown potential applications in energy storage. However, controlling and improving the energy-storage performance in antiferroelectric remain challenging. Here, a domain structure and energy-storage performance diagram for Pb(Zr1-xTix)O3(x ≤ 0.1) single crystal are investigated via phase-field simulations. Controlling the ratio of domain wall coefficients λ and g can tune the periodicities of the antiferroelectric stripe domain and generate a complicated topological domain. By decreasing the antiferroelectric domain periodicity, one can achieve high recoverable energy-storage density (Wrec= 30.24 J/cm3) with an efficiency of 80.9%. In addition, Pb(Zr1-xTix)O3(x ≤ 0.1) thin-film system has also been investigated. Positive equiaxial misfit strain significantly enhances recoverable energy-storage density up to 21.96 J/cm3with an efficiency of 84.9%. Our results offer another train of thought to tune antiferroelectric domain structure, which provides the idea to design high-energy-density materials in experiments.
AB - Antiferroelectric materials have shown potential applications in energy storage. However, controlling and improving the energy-storage performance in antiferroelectric remain challenging. Here, a domain structure and energy-storage performance diagram for Pb(Zr1-xTix)O3(x ≤ 0.1) single crystal are investigated via phase-field simulations. Controlling the ratio of domain wall coefficients λ and g can tune the periodicities of the antiferroelectric stripe domain and generate a complicated topological domain. By decreasing the antiferroelectric domain periodicity, one can achieve high recoverable energy-storage density (Wrec= 30.24 J/cm3) with an efficiency of 80.9%. In addition, Pb(Zr1-xTix)O3(x ≤ 0.1) thin-film system has also been investigated. Positive equiaxial misfit strain significantly enhances recoverable energy-storage density up to 21.96 J/cm3with an efficiency of 84.9%. Our results offer another train of thought to tune antiferroelectric domain structure, which provides the idea to design high-energy-density materials in experiments.
KW - antiferroelectric materials
KW - domain evolution process
KW - domain wall energy
KW - energy-storage property
KW - phase-field simulation
UR - http://www.scopus.com/inward/record.url?scp=85131740276&partnerID=8YFLogxK
U2 - 10.1021/acsami.2c05168
DO - 10.1021/acsami.2c05168
M3 - Article
C2 - 35614878
AN - SCOPUS:85131740276
SN - 1944-8244
VL - 14
SP - 25770
EP - 25780
JO - ACS applied materials & interfaces
JF - ACS applied materials & interfaces
IS - 22
ER -