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• W2115803567 abstract "Abstract We here identify by ab initio calculations two distinct three-dimensional three-connected (3D3C) chiral framework structures of carbon in Equation missing<!-- image only, no MathML or LaTex --> and I 4 1 / amd symmetry, respectively, which comprise 3-fold and 4-fold helical chains with complementary chirality. The helical carbon chains are connected by an ethene-type planar π -conjugation, and the resulting structures contain a network of sp 2 carbon bonds with one-third being double bonds between the chains and two-thirds single bonds along the chains. Phonon and electronic band structure calculations show that these chiral carbene structures are dynamically stable and exhibit a large band gap (2.4 ~ 2.9 eV). This semiconducting nature reflects a key distinction from previously proposed metallic isomers of helical or zigzag carbon chains with twisted π states that are dynamically unstable. The present results solve the long-sought 3D3C all- sp 2 carbon structures and may help design other covalent bonding networks." @default.
• W2115803567 created "2016-06-24" @default.
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• W2115803567 date "2013-10-29" @default.
• W2115803567 modified "2023-10-03" @default.
• W2115803567 title "New Carbon Allotropes with Helical Chains of Complementary Chirality Connected by Ethene-type π-Conjugation" @default.
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• W2115803567 doi "https://doi.org/10.1038/srep03077" @default.
• W2115803567 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/3810657" @default.
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