Affordable Access

Access to the full text

Optical gap and fundamental gap of oligoynes and carbyne

Authors
  • Zirzlmeier, Johannes1
  • Schrettl, Stephen2, 3
  • Brauer, Jan C.2
  • Contal, Emmanuel2, 4
  • Vannay, Laurent5
  • Brémond, Éric5, 6
  • Jahnke, Eike7
  • Guldi, Dirk M.1
  • Corminboeuf, Clémence5
  • Tykwinski, Rik R.8
  • Frauenrath, Holger2
  • 1 Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU), Egerlandstraße 3, Erlangen, 91058, Germany , Erlangen (Germany)
  • 2 Laboratory of Macromolecular and Organic Materials, EPFL – STI – IMX – LMOM, MXG 037, Station 12, Lausanne, 1015, Switzerland , Lausanne (Switzerland)
  • 3 University of Fribourg, Chemin des Verdiers 4, Fribourg, 1700, Switzerland , Fribourg (Switzerland)
  • 4 University of Bourgogne Franche-Comté, 16 Route de Gray, Besançon, 25030, France , Besançon (France)
  • 5 Institute of Chemical Science and Engineering, Computational Molecular Design Laboratory EPFL – SB – ISIC – LCMD, BCH 5312, Lausanne, 1015, Switzerland , Lausanne (Switzerland)
  • 6 Université de Paris, ITODYS, CNRS, Paris, F-75006, France , Paris (France)
  • 7 Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU), Nikolaus-Fiebiger-Straße 10, Erlangen, 91058, Germany , Erlangen (Germany)
  • 8 University of Alberta, Edmonton, AB, T6G 2G2, Canada , Edmonton (Canada)
Type
Published Article
Journal
Nature Communications
Publisher
Springer Nature
Publication Date
Sep 23, 2020
Volume
11
Issue
1
Identifiers
DOI: 10.1038/s41467-020-18496-4
Source
Springer Nature
License
Green

Abstract

Carbyne, a linear sp-hybridized carbon allotrope, is synthetically inaccessible and its properties are extrapolated from those of defined oligomers. Here the authors analyze weak optical bands in two series of oligoynes and reassess the optical and fundamental gap of carbyne to lower values than previously suggested.

Report this publication

Statistics

Seen <100 times