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TAO-DFT investigation of electronic properties of linear and cyclic carbon chains
It has been challenging to adequately investigate the properties of nanosystems with radical nature using conventional electronic structure methods. We address this challenge by calculating the electronic properties of linear carbon chains (l-CC[n]) and cyclic carbon chains (c-CC[n]) with n = 10–100...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Nature Publishing Group UK
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7403413/ https://www.ncbi.nlm.nih.gov/pubmed/32753715 http://dx.doi.org/10.1038/s41598-020-70023-z |