在NaNbO中转换反相边界3 抗铁电学
Hui Ding1, Niloofar Hadaeghi1, Mao-Hua Zhang1
1Department of Materials and Earth Sciences, Technical University of Darmstadt, Darmstadt 64289, Germany.
ACS applied materials & interfaces
|December 12, 2023
概括
这项研究揭示了酸 (NaNbO3) 中的反极转换抗相边界 (APB) 是稳定且丰富的,为无反铁电储能材料的缺陷工程提供了途径.
科学领域:
- 材料科学 材料科学 材料科学
- 固态物理 固态物理
- 晶体学 晶体学是指结晶学.
背景情况:
- 平面缺陷显著影响材料性能.
- 翻译抗相边界 (APB) 在矿氧化物中得到了很好的研究,但在无抗铁电物中未得到充分研究.
- 无抗铁电氧化物对于下一代能源储存至关重要.
研究的目的:
- 在无抗铁电材料NaNbO3.3中研究转化APB.
- 描述这些APB的性质,密度和稳定性.
- 了解APB稳定性和共存的原子起源.
主要方法:
- 在多个长度尺度上进行异常校正扫描传输电子显微镜 (STEM).
- 现场和现场传输电子显微镜 (TEM) 实验.
- 密度函数理论 (DFT) 的计算.
主要成果:
- 在NaNbO3中,转化APB表现出具有高密度的双重调制的反极结构.
- 这些APB显示出对电场和高温的显著稳定性.
- DFT计算证实了APB的低自由能量,解释了它们在纳米尺度上的共存.
结论:
- 在NaNbO3中,反相边界具有明显的反极性质和高稳定性.
- 这些发现提供了对NaNbO3.3中缺陷行为的基本理解.
- 这项工作为对抗铁电材料的缺陷工程奠定了基础,用于增强能量存储应用.
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