Tuning the Optical Properties and Conductivity of Bundles in Networks of Single-Walled Carbon Nanotubes.

Autor:	Mitin D; Saint Petersburg Academic University, Khlopina, 8/3A, St. Petersburg 194021, Russia.; Peter the Great St. Petersburg Polytechnic University, Politekhnicheskaya 29, St. Petersburg 195251, Russia., Vorobyev A; Saint Petersburg Academic University, Khlopina, 8/3A, St. Petersburg 194021, Russia., Pavlov A; Saint Petersburg Academic University, Khlopina, 8/3A, St. Petersburg 194021, Russia.; Peter the Great St. Petersburg Polytechnic University, Politekhnicheskaya 29, St. Petersburg 195251, Russia., Berdnikov Y; St. Petersburg State University, Universitetskaya Emb. 13B, 199034 St. Petersburg, Russia., Mozharov A; St. Petersburg State University, Universitetskaya Emb. 13B, 199034 St. Petersburg, Russia., Mikhailovskii V; St. Petersburg State University, Universitetskaya Emb. 13B, 199034 St. Petersburg, Russia., Ramirez B JA; Skolkovo Institute of Science and Technology, Nobel str. 3, Moscow 121205, Russia., Krasnikov DV; Skolkovo Institute of Science and Technology, Nobel str. 3, Moscow 121205, Russia., Kopylova DS; Skolkovo Institute of Science and Technology, Nobel str. 3, Moscow 121205, Russia., Kirilenko DA; Ioffe Institute, 26 Politekhnicheskaya, St Petersburg 194021, Russia., Vinnichenko M; Peter the Great St. Petersburg Polytechnic University, Politekhnicheskaya 29, St. Petersburg 195251, Russia., Polozkov R; Saint Petersburg Academic University, Khlopina, 8/3A, St. Petersburg 194021, Russia.; Peter the Great St. Petersburg Polytechnic University, Politekhnicheskaya 29, St. Petersburg 195251, Russia.; ITMO University, St Petersburg 197101, Russia., Nasibulin AG; Skolkovo Institute of Science and Technology, Nobel str. 3, Moscow 121205, Russia.; Aalto University, P.O. Box 16100, FI-00076 Aalto, Espoo, Finland., Mukhin I; Saint Petersburg Academic University, Khlopina, 8/3A, St. Petersburg 194021, Russia.; Peter the Great St. Petersburg Polytechnic University, Politekhnicheskaya 29, St. Petersburg 195251, Russia.
Jazyk:	angličtina
Zdroj:	The journal of physical chemistry letters [J Phys Chem Lett] 2022 Sep 22; Vol. 13 (37), pp. 8775-8782. Date of Electronic Publication: 2022 Sep 14.
DOI:	10.1021/acs.jpclett.2c01931
Abstrakt:	The films of single-walled carbon nanotubes (SWCNTs) are a promising material for flexible transparent electrodes, which performance depends not only on the properties of individual nanotubes but also, foremost, on bundling of individual nanotubes. This work investigates the impact of densification on optical and electronic properties of SWCNT bundles and fabricated films. Our ab initio analysis shows that the optimally densified bundles, consisting of a mixture of quasi-metallic and semiconducting SWCNTs, demonstrate quasi-metallic behavior and can be considered as an effective conducting medium. Our density functional theory calculations indicate the band curving and bandgap narrowing with the reduction of the distance between nanotubes inside bundles. Simulation results are consistent with the observed conductivity improvement and shift of the absorption peaks in SWCNT films densified in isopropyl alcohol. Therefore, not only individual nanotubes but also the bundles should be considered as building blocks for high-performance transparent conductive SWCNT-based films.
Databáze:	MEDLINE
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