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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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| Publicat a: | Materials (Basel) |
|---|---|
| Autors principals: | , , , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
MDPI
2017
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| Matèries: | |
| Accés en línia: | 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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