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Unlocking Cage-Confined Cations Molecular Dynamics toward High-Tc Perovskite Ferroelectrics
Angewandte Chemie International Edition ( IF 16.1 ) Pub Date : 2024-12-03 , DOI: 10.1002/anie.202420512 Yu Ma, Wenjing Li, Jianchao Sun, Yi Liu, Wuqian Guo, Hao Rong, Qiaohong Li, Xiaobin Fu, Junhua Luo, Zhihua Sun
Angewandte Chemie International Edition ( IF 16.1 ) Pub Date : 2024-12-03 , DOI: 10.1002/anie.202420512 Yu Ma, Wenjing Li, Jianchao Sun, Yi Liu, Wuqian Guo, Hao Rong, Qiaohong Li, Xiaobin Fu, Junhua Luo, Zhihua Sun
For the first time, the cage-confinement effect is established to exploit new high-Tc ferroelectrics, of which the Tc is dramatically promoted to 402 K (>BaTiO3, 393 K). Further, Deep understanding of cage-confinement effect and high-Tc ferroelectricity is well elaborated by combining in situ solid-state NMR spectroscopy and theoretical calculations on potential energies. This paves a new pathway and makes a breakthrough in the field of molecular ferroelectrics.
中文翻译:
解锁笼限阳离子分子动力学对高 Tc 钙钛矿铁电体的分子动力学
首次建立了笼式限制效应以利用新的高 Tc 铁电体,其中 Tc 急剧提高到 402 K(>BaTiO3, 393 K)。此外,通过将原位固体 NMR 波谱和势能理论计算相结合,很好地阐述了对笼式约束效应和高 Tc 铁电性的深刻理解。这为分子铁电体领域铺平了一条新的途径并取得了突破。
更新日期:2024-12-03
中文翻译:
解锁笼限阳离子分子动力学对高 Tc 钙钛矿铁电体的分子动力学
首次建立了笼式限制效应以利用新的高 Tc 铁电体,其中 Tc 急剧提高到 402 K(>BaTiO3, 393 K)。此外,通过将原位固体 NMR 波谱和势能理论计算相结合,很好地阐述了对笼式约束效应和高 Tc 铁电性的深刻理解。这为分子铁电体领域铺平了一条新的途径并取得了突破。