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BaTiO3–Bi0.5Na0.5TiO3 is one of the promising candidates as a high-temperature relaxor with a high Curie temperature and several preferred dielectric characteristics. It has been found experimentally for a long time that adding calcium to BaTiO3–Bi0.5Na0.5TiO3 improves its temperature characteristic of the capacitance [J. Electron. Mater. 39, 2471]. In this study, Calcium (Ca) defects in perovskite BaTiO3 and Bi0.5Na0.5TiO3 have been studied based on first-principles calculations. In both BaTiO3 and Bi0.5Na0.5TiO3, our calculations showed that Ca atom energetically prefers to substitute for the cations, that is Ba, Bi, Na and Ti, depending on the growth conditions. In most cases, Ca predominantly substitutes on the A-site without providing additional electrical carriers (serve as either neutral defects or self-compensating defects). The growth conditions where Ca can be forced to substitute for B-site (with limited amount) and the conditions where Ca can be forced to serve as an acceptor are identified. Details of the local structures, formation energies and electronic properties of these Ca defects are reported. 相似文献
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Laohana Peerawat Tanapongpisit Nantawat Kim Sangmo Eknapakul Tanachat Fongkaew Ittipon Supruangnet Ratchadaporn Nakajima Hideki Meevasana Worawat Bark Chung Wung Saenrang Wittawat 《Journal of Solid State Electrochemistry》2021,25(4):1121-1129
Journal of Solid State Electrochemistry - In this letter, we report on the simple process of preparing perovskite oxide SrMnO3 and the studying of the size effect on electrochemical properties for... 相似文献
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Zongwei Yue Hiu C. Lam Kaiqi Chen Ittipon Siridechakorn Yaxi Liu Khanitha Pudhom Xiaoguang Lei 《Angewandte Chemie (International ed. in English)》2020,59(10):4115-4120
The rhytidenone family comprises spirobisnaphthalene natural products isolated from the mangrove endophytic fungus Rhytidhysteron rufulum AS21B. The biomimetic synthesis of rhytidenone A was achieved by a Michael reaction/aldol/lactonization cascade in a single step from the proposed biosynthetic precursor rhytidenone F. Moreover, the mode of action of the highly cytotoxic rhytidenone F was investigated. The pulldown assay coupled with mass spectrometry analysis revealed the target protein PA28γ is covalently attached to rhytidenone F at the Cys92 residue. The interactions of rhytidenone F with PA28γ lead to the accumulation of p53, which is an essential tumor suppressor in humans. Consequently, the Fas‐dependent signaling pathway is activated to initiate cellular apoptosis. These studies have identified the first small‐molecule inhibitor targeting PA28γ, suggesting rhytidenone F may serve as a promising natural product lead for future anticancer drug development. 相似文献
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Zongwei Yue Dr. Hiu C. Lam Kaiqi Chen Dr. Ittipon Siridechakorn Yaxi Liu Prof. Dr. Khanitha Pudhom Prof. Dr. Xiaoguang Lei 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2020,132(10):4144-4149
The rhytidenone family comprises spirobisnaphthalene natural products isolated from the mangrove endophytic fungus Rhytidhysteron rufulum AS21B. The biomimetic synthesis of rhytidenone A was achieved by a Michael reaction/aldol/lactonization cascade in a single step from the proposed biosynthetic precursor rhytidenone F. Moreover, the mode of action of the highly cytotoxic rhytidenone F was investigated. The pulldown assay coupled with mass spectrometry analysis revealed the target protein PA28γ is covalently attached to rhytidenone F at the Cys92 residue. The interactions of rhytidenone F with PA28γ lead to the accumulation of p53, which is an essential tumor suppressor in humans. Consequently, the Fas-dependent signaling pathway is activated to initiate cellular apoptosis. These studies have identified the first small-molecule inhibitor targeting PA28γ, suggesting rhytidenone F may serve as a promising natural product lead for future anticancer drug development. 相似文献
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