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.
@article{arxiv.1109.6591,
title = {Carbon sp chains in graphene nanoholes},
author = {Ivano E. Castelli and Nicola Ferri and Giovanni Onida and Nicola Manini},
journal= {arXiv preprint arXiv:1109.6591},
year = {2015}
}