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arxiv: 1109.6591 · v1 · pith:4GE54ORDnew · submitted 2011-09-29 · ❄️ cond-mat.mes-hall

Carbon sp chains in graphene nanoholes

classification ❄️ cond-mat.mes-hall
keywords carbonchainsgraphenepropertiesab-initioadoptcarbon-onlycertain
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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.

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