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First-Principles Studies of Hydrogen Adsorption at Pd-SiO(2) Interfaces
The interaction of hydrogen with Pd-SiO(2) interfaces has been investigated for the first time using first-principles calculations based on density functional theory. The hydrogen-induced polarization at the Pd-SiO(2) interfaces was evaluated using Pd-SiO(2) interface supercells. As a result, the po...
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| Опубликовано в: : | Sensors (Basel) |
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| Главные авторы: | , |
| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
MDPI
2015
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| Предметы: | |
| Online-ссылка: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4507595/ https://ncbi.nlm.nih.gov/pubmed/26110410 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/s150614757 |
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