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- W2059897752 abstract "We address the issue of the low electrical conductivity observed in carbon nanotube networks using first-principles calculations of the structure, stability, and ballistic transport of different nanotube junctions. We first study covalent linkers, using the nitrene–pyrazine case as a model for conductance-preserving [2 + 1] cycloadditions, and discuss the reasons for their poor performance. We then characterize the role of transition-metal adsorbates in improving mechanical coupling and electrical tunneling between the tubes. We show that the strong hybridization between the transition-metal d orbitals with the π orbitals of the nanotube can provide an excellent electrical bridge for nanotube–nanotube junctions. This effect is maximized in the case of nitrogen-doped nanotubes, thanks to the strong mechanical coupling between the tubes mediated by a single transition metal adatom. Our results suggest effective strategies to optimize the performance of carbon nanotube networks." @default.
- W2059897752 created "2016-06-24" @default.
- W2059897752 creator A5005167296 @default.
- W2059897752 creator A5033679062 @default.
- W2059897752 date "2011-11-17" @default.
- W2059897752 modified "2023-10-02" @default.
- W2059897752 title "Improving the Electrical Conductivity of Carbon Nanotube Networks: A First-Principles Study" @default.
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- W2059897752 doi "https://doi.org/10.1021/nn2032227" @default.
- W2059897752 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/22059779" @default.
- W2059897752 hasPublicationYear "2011" @default.
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