П’єзоелектричний відгук полі (L-молочної кислоти) α-форми на механічно напружений стан
Here, the piezoelectric effects in a polymer (L-lactic acid) under a mechanical action are studied by methods of the density functional theory and first-principles pseudopotential based on own program code. The spatial distributions of the valence electron density, electronic state density, Coulomb...
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| Дата: | 2025 |
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| Автори: | , , |
| Формат: | Стаття |
| Мова: | English Ukrainian |
| Опубліковано: |
Publishing house "Academperiodika"
2025
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| Теми: | |
| Онлайн доступ: | https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2023265 |
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| Назва журналу: | Ukrainian Journal of Physics |
Репозитарії
Ukrainian Journal of Physics| Резюме: | Here, the piezoelectric effects in a polymer (L-lactic acid) under a mechanical action are studied by methods of the density functional theory and first-principles pseudopotential based on own program code. The spatial distributions of the valence electron density, electronic state density, Coulomb potentials in different directions of the PLLA polymer fragment and charge states of its individual atoms are calculated. It is found that only one fragment of the polymer chain allows us to determine the nature of the charge polarization of valence electrons and ions under a mechanical deformation. |
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