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arXiv · 1109.6591

Carbon sp chains in graphene nanoholes

Ivano E. Castelli·Nicola Ferri·Giovanni Onida·Nicola Manini
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Abstract

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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Ivano E. Castelli, Nicola Ferri, Giovanni Onida, Nicola Manini. 2011-09-29. Carbon sp chains in graphene nanoholes. https://doi.org/10.1088/0953-8984%2F24%2F10%2F104019

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