Carbon sp chains in graphene nanoholes
Publication: Research - peer-review › Journal article – Annual report year: 2012
Nowadays sp carbon chains terminated by graphene or graphitic-like carbon are synthesized routinely in several nanotech labs. We propose an ab initio study of such carbon-only materials, by computing their structure and stability, as well as their electronic, vibrational and magnetic properties. We adopt a fair compromise of microscopic realism with a certain level of idealization in the model configurations, and predict a number of properties susceptible to comparison with experiment.
| Original language | English |
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| Journal | Journal of Physics: Condensed Matter |
| Publication date | 2012 |
| Volume | 24 |
| Journal number | 10 |
| Pages | 104019 |
| ISSN | 0953-8984 |
| DOIs | |
| State | Published |
| Citations | Web of Science® Times Cited: 2 |
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ID: 6680391