Xu Ke, Shi Xiaoming, Dong Shouzhe, Wang Jing, Huang Houbing
School of Materials Science and Engineering, Beijing Institute of Technology, Beijing 100081, China.
Advanced Research Institute of Multidisciplinary Science, Beijing Institute of Technology, Beijing 100081, China.
ACS Appl Mater Interfaces. 2022 Jun 8;14(22):25770-25780. doi: 10.1021/acsami.2c05168. Epub 2022 May 25.
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(ZrTi)O ( ≤ 0.1) single crystal are investigated via phase-field simulations. Controlling the ratio of domain wall coefficients λ and 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 ( = 30.24 J/cm) with an efficiency of 80.9%. In addition, Pb(ZrTi)O ( ≤ 0.1) thin-film system has also been investigated. Positive equiaxial misfit strain significantly enhances recoverable energy-storage density up to 21.96 J/cm with 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.
反铁电材料在能量存储方面已展现出潜在应用。然而，控制和改善反铁电体中的能量存储性能仍然具有挑战性。在此，通过相场模拟研究了Pb(ZrTi)O（≤0.1）单晶的畴结构和能量存储性能图。控制畴壁系数λ和 的比例可以调整反铁电条纹畴的周期性，并产生复杂的拓扑畴。通过减小反铁电畴的周期性，可以实现高达30.24 J/cm³的高可恢复能量存储密度，效率为80.9%。此外，还研究了Pb(ZrTi)O（≤0.1）薄膜系统。正等轴失配应变显著提高了可恢复能量存储密度，高达21.96 J/cm³，效率为84.9%。我们的结果为调整反铁电畴结构提供了另一种思路，这为在实验中设计高能量密度材料提供了思路。
