Electronic Properties of Linear and Cyclic Boron Nanoribbons from Thermally-Assisted-Occupation Density Functional Theory

It remains rather difficult for traditional computational methods to reliably predict the properties of nanosystems, especially for those possessing pronounced radical character. Accordingly, in this work, we adopt the recently formulated thermally-assisted-occupation density functional theory (TAO-...

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Detalles Bibliográficos
Autores principales: Seenithurai, Sonai, Chai, Jeng-Da
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6702209/
https://www.ncbi.nlm.nih.gov/pubmed/31431672
http://dx.doi.org/10.1038/s41598-019-48560-z

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6702209/
https://www.ncbi.nlm.nih.gov/pubmed/31431672
http://dx.doi.org/10.1038/s41598-019-48560-z

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