Quantum-Chemical Design of Covalent Linkages for Interconnecting Carbon Nanotubes
作者： Fabio Pichierri , Mohammad Khazaei , Yoshiyuki Kawazoe
DOI: 10.2320/MATERTRANS.N-MRA2007861
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摘要: The possibility of interconnecting carbon nanotubes (CNTs) through their ends using covalent linkages has been computationally explored. By employing density functional theory (DFT) calculations with Gaussian-type orbitals (GTOs) we have optimized the geometry four CNTbased model junctions each containing five linkages. investigated here are disulfide (–S–S–) and peptide (–CONH–)
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