Radiation behavior of Ruddlesden–Popper Srn+1TinO3n+1 (n = 1, 2, 3, and ∞): Effects of layered structure and temperature

IF 3.8 3区 材料科学 Q1 MATERIALS SCIENCE, CERAMICS
Menghui Wang, Liangfu Zhou, Huashuai Hu, Fenghua Shen, Shijian Lin, Tongmin Zhang, Yuhong Li, Dongyan Yang
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引用次数: 0

Abstract

Ruddlesden–Popper (RP) perovskites are layer-structured derivatives of simple perovskites. In this study, the radiation behavior of RP perovskites Srn+1TinO3n+1 (n = 1, 2, 3, and ∞) was investigated, focusing on the effects of [SrO] layers and temperatures. Under 3 MeV Xe ion irradiation at room temperature, Srn+1TinO3n+1 perovskites exhibited varying degrees of amorphization and lattice swelling. As the index n increases or the density of [SrO] layers decreases, the radiation resistance of Srn+1TinO3n+1 gradually increases, suggesting that the [SrO] layers play a significant role in the radiation behavior of RP perovskites. At high temperatures, Srn+1TinO3n+1 perovskites exhibited enhanced radiation tolerance. Moreover, the typical layered Srn+1TinO3n+1 (n = 1–3) perovskites decomposed into non-layered SrTiO3 and SrO. To further elucidate these observations, annealing experiments were performed on pristine and room-temperature irradiated samples. The results confirm that the phase decomposition is caused by a combined effect of irradiation and high temperature. On the basis of the first-principles calculations, the experimental results are well interpreted within the framework of defect energetics and thermodynamic stability. This study provides insights into the mechanism governing the structural stability of RP perovskites under radiation, offering guidance for tuning the radiation resistance of complex materials.

Ruddlesden-Popper Srn+1TinO3n+1 (n = 1,2,3和∞)的辐射行为:层状结构和温度的影响
Ruddlesden-Popper (RP)钙钛矿是简单钙钛矿的层状结构衍生物。本文研究了RP钙钛矿Srn+1TinO3n+1 (n = 1,2,3和∞)的辐射行为,重点研究了[SrO]层和温度的影响。在室温下3mev Xe离子照射下,Srn+1TinO3n+1钙钛矿表现出不同程度的非晶化和晶格膨胀。随着指数n的增大或[SrO]层密度的减小,Srn+1TinO3n+1的抗辐射能力逐渐增大,表明[SrO]层对RP钙钛矿的辐射行为起着重要作用。在高温下,Srn+1TinO3n+1钙钛矿表现出更强的耐辐射能力。此外,典型的层状Srn+1TinO3n+1 (n = 1 - 3)钙钛矿分解为非层状SrTiO3和SrO。为了进一步阐明这些观察结果,对原始和室温辐照样品进行了退火实验。结果表明,高温和辐照的共同作用导致了相分解。在第一性原理计算的基础上,实验结果在缺陷能量学和热力学稳定性的框架内得到了很好的解释。本研究揭示了RP钙钛矿在辐射作用下结构稳定性的调控机制,为复杂材料抗辐射性能的调整提供了指导。
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来源期刊
Journal of the American Ceramic Society
Journal of the American Ceramic Society 工程技术-材料科学:硅酸盐
CiteScore
7.50
自引率
7.70%
发文量
590
审稿时长
2.1 months
期刊介绍: The Journal of the American Ceramic Society contains records of original research that provide insight into or describe the science of ceramic and glass materials and composites based on ceramics and glasses. These papers include reports on discovery, characterization, and analysis of new inorganic, non-metallic materials; synthesis methods; phase relationships; processing approaches; microstructure-property relationships; and functionalities. Of great interest are works that support understanding founded on fundamental principles using experimental, theoretical, or computational methods or combinations of those approaches. All the published papers must be of enduring value and relevant to the science of ceramics and glasses or composites based on those materials. Papers on fundamental ceramic and glass science are welcome including those in the following areas: Enabling materials for grand challenges[...] Materials design, selection, synthesis and processing methods[...] Characterization of compositions, structures, defects, and properties along with new methods [...] Mechanisms, Theory, Modeling, and Simulation[...] JACerS accepts submissions of full-length Articles reporting original research, in-depth Feature Articles, Reviews of the state-of-the-art with compelling analysis, and Rapid Communications which are short papers with sufficient novelty or impact to justify swift publication.
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