Toward Confined Carbyne with Tailored Properties

Author(s)
Lei Shi, Ryosuke Senga, Kazu Suenaga, Hiromichi Kataura, Takeshi Saito, Alejandro Perez Paz, Angel Rubio, Paola Ayala, Thomas Pichler
Abstract

Confining carbyne to a space that allows for stability and controlled reactivity is a very appealing approach to have access to materials with tunable optical and electronic properties without rival. Here, we show how controlling the diameter of single-walled carbon nanotubes opens the possibility to grow a confined carbyne with a defined and tunable band gap. The metallicity of the tubes has a minimal influence on the formation of the carbyne, whereas the diameter plays a major role in the growth. It has been found that the properties of confined carbyne can be tailored independently from its length and how these are mostly determined by its interaction with the carbon nanotube. Molecular dynamics simulations have been performed to interpret these findings. Furthermore, the choice of a single-walled carbon nanotube host has been proven crucial even to synthesize an enriched carbyne with the smallest energy gap currently reported and with remarkable homogeneity.

Organisation(s)
Electronic Properties of Materials
External organisation(s)
Sun Yat-sen University, National Institute of Advanced Industrial Science and Technology (AIST), University of the Basque Country, Max-Planck-Institut für Struktur und Dynamik der Materie, United Arab Emirates University, Simons Foundation
Journal
Nano Letters
Volume
21
Pages
1096-1101
No. of pages
6
ISSN
1530-6984
DOI
https://doi.org/10.1021/acs.nanolett.0c04482
Publication date
01-2021
Peer reviewed
Yes
Austrian Fields of Science 2012
210004 Nanomaterials, 104026 Spectroscopy
Keywords
Portal url
https://ucris.univie.ac.at/portal/en/publications/toward-confined-carbyne-with-tailored-properties(9d782f17-aa2f-4062-95a4-05e3ca6c2054).html