2002/07/02 by V. R. Coluci, V R. Coluci, Coluci, V R. +12
Chemistry · Engineering · Materials Science · Physics and Astronomy · #Ab initio #Carbon Nanotubes in Composites #Carbon nanobud #Carbon nanotube #Chemical physics #Chemistry #Composite material #Computational chemistry #Covalent bond #Electronic structure #FOS: Physical sciences #Fiber-reinforced polymer composites #Graphene #Graphene research and applications #Graphite #Graphyne #Materials Science (cond-mat.mtrl-sci) #Materials science #Mechanical properties of carbon nanotubes #Nanotechnology #Nanotube #Optical properties of carbon nanotubes #Organic chemistry #Selective chemistry of single-walled nanotubes #Tight binding #cond-mat.mtrl-sci
paper · pdf · doi:10.48550/arxiv.cond-mat/0207085
published in arXiv (Cornell University) (Cornell University)
arxiv created 2002/07/02 · openalex publication_date 2002/07/02 · arxiv updated 2009/11/30 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/06
Fundamentally new families of carbon single walled nanotubes are proposed. These nanotubes, called graphynes, result from the elongation of covalent interconnections of graphite-based nanotubes by the introduction of yne groups. Similarly to ordinary nanotubes, arm-chair, zig-zag, and chiral graphyne nanotubes are possible. Electronic properties, predicted using tight-binding and ab initio density functional methods, show a rich variety of metallic and semiconducting behaviors.