HYDROGEN DEFECTS ON THE SURFACE OF LEAD-FREE FERROELECTRIC Na\(_{0.5}\)Bi\(_{0.5}\)TiO\(_3\) MATERIALS
Hydrogen atomic chemisorption and adsorption at all possible vacancy sites on the surface of perovskite Na0.5Bi0.5TiO3 (110) were explored using calculations from density functional theory. Our calculations reveal that a pristine Na0.5Bi0.5TiO3 (110) surface can exhibit direct and indirect transitio...
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| Médium: | Článek |
| Jazyk: | English |
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Trường Đại học Đà Lạt
2024
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| On-line přístup: | https://scholar.dlu.edu.vn/thuvienso/handle/DLU123456789/256917 https://tckh.dlu.edu.vn/index.php/tckhdhdl/article/view/1223 |
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| Thư viện lưu trữ: | Thư viện Trường Đại học Đà Lạt |
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