Carbon sp chains in graphene nanoholes

Publication: Research - peer-reviewJournal article – Annual report year: 2012

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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.
Original languageEnglish
JournalJournal of Physics: Condensed Matter
Publication date2012
Volume24
Issue10
Pages104019
ISSN0953-8984
DOIs
StatePublished
CitationsWeb of Science® Times Cited: 6
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