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A first principles investigation on the structural, mechanical, electronic, and catalytic properties of biphenylene
Recently, a new two-dimensional allotrope of carbon (biphenylene) was experimentally synthesized. Using first-principles calculations, we systematically investigated the structural, mechanical, electronic, and HER properties of biphenylene. A large cohesive energy, absence of imaginary phonon freque...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8463688/ https://www.ncbi.nlm.nih.gov/pubmed/34561479 http://dx.doi.org/10.1038/s41598-021-98261-9 |