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Li-Decorated β(12)-Borophene as Potential Candidates for Hydrogen Storage: A First-Principle Study
The hydrogen storage properties of pristine β(12)-borophene and Li-decorated β(12)-borophene are systemically investigated by means of first-principles calculations based on density functional theory. The adsorption sites, adsorption energies, electronic structures, and hydrogen storage performance...
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| Publicado en: | Materials (Basel) |
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| Main Authors: | , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
MDPI
2017
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5744334/ https://ncbi.nlm.nih.gov/pubmed/29215598 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ma10121399 |
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