A nitrogen-doped nanotube molecule with atom vacancy defects

Koki Ikemoto, Seungmin Yang, Hisashi Naito, Motoko Kotani, Sota Sato and Hiroyuki Isobe ()
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Koki Ikemoto: The University of Tokyo, Hongo
Seungmin Yang: The University of Tokyo, Hongo
Hisashi Naito: Nagoya University
Motoko Kotani: Tohoku University
Sota Sato: The University of Tokyo, Hongo
Hiroyuki Isobe: The University of Tokyo, Hongo

Nature Communications, 2020, vol. 11, issue 1, 1-6

Abstract: Abstract Nitrogen-doped carbon nanotubes have attracted attention in various fields, but lack of congeners with discrete molecular structures has hampered developments based on in-depth, chemical understandings. In this study, a nanotube molecule doped periodically with multiple nitrogen atoms has been synthesized by combining eight 2,4,6-trisubstituted pyridine units with thirty-two 1,3,5-trisubstituted benzene units. A synthetic strategy involving geodesic phenine frameworks is sufficiently versatile to tolerate pyridine units without requiring synthetic detours. Crystallographic analyses adopting aspherical multipole atom models reveal the presence of axially rotated structures as a minor disordered structure, which also provides detailed molecular and electronic structures. The nitrogen atoms on the nanotube serve as chemically distinct sites covered with negatively charged surfaces, and they increase the chance of electron injections by lowering the energy levels of the unoccupied orbitals that should serve as electron acceptors.

Date: 2020
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DOI: 10.1038/s41467-020-15662-6

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