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A First Principles Study of H(2) Adsorption on LaNiO(3)(001) Surfaces
The adsorption of H(2) on LaNiO(3) was investigated using density functional theory (DFT) calculations. The adsorption sites, adsorption energy, and electronic structure of LaNiO(3)(001)/H(2) systems were calculated and indicated through the calculated surface energy that the (001) surface was the m...
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| Опубликовано в: : | Materials (Basel) |
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| Главные авторы: | , , , , , |
| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
MDPI
2017
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| Предметы: | |
| Online-ссылка: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5344605/ https://ncbi.nlm.nih.gov/pubmed/28772396 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ma10010036 |
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