Journal article · Preprint article
Carbon sp chains in graphene nanoholes
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.
Language: | English |
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Publisher: | IOP Publishing |
Year: | 2012 |
Pages: | 104019 |
ISSN: | 1361648x and 09538984 |
Types: | Journal article and Preprint article |
DOI: | 10.1088/0953-8984/24/10/104019 |
ORCIDs: | Castelli, Ivano Eligio |