Literature DB >> 25247247

Signature of the Dirac cone in the properties of linear oligoacenes.

Richard Korytár1, Dimitra Xenioti2, Peter Schmitteckert3, Mébarek Alouani4, Ferdinand Evers5.   

Abstract

Organic electronics offers prospects of functionality for science, industry and medicine that are new as compared with silicon technology and available at a very low material cost. Among the plethora of organic molecules available for materials design, polymers and oligomers are very promising, for example, because of their mechanical flexibility. They consist of repeated basic units, such as benzene rings, and the number of these units N determines their excitation gap, a property that is often used in proposals of organic photovoltaics. Here, we show that contrary to a widely held belief the magnitudes of excitation gaps do not always decay monotonously with N, but can oscillate due to the presence of a 'Dirac cone' in the band structure. With an eye on the more fundamental question how a molecular wire becomes metallic with increasing length, our research suggests that the process can exhibit incommensurate oscillations.

Entities:  

Year:  2014        PMID: 25247247     DOI: 10.1038/ncomms6000

Source DB:  PubMed          Journal:  Nat Commun        ISSN: 2041-1723            Impact factor:   14.919


  5 in total

1.  Conductance saturation in a series of highly transmitting molecular junctions.

Authors:  T Yelin; R Korytár; N Sukenik; R Vardimon; B Kumar; C Nuckolls; F Evers; O Tal
Journal:  Nat Mater       Date:  2016-02-01       Impact factor: 43.841

Review 2.  Synthesis of oligoacenes using precursors for evaluation of their electronic structures.

Authors:  Hiroko Yamada; Hironobu Hayashi
Journal:  Photochem Photobiol Sci       Date:  2022-06-07       Impact factor: 4.328

3.  Generalized-active-space pair-density functional theory: an efficient method to study large, strongly correlated, conjugated systems.

Authors:  Soumen Ghosh; Christopher J Cramer; Donald G Truhlar; Laura Gagliardi
Journal:  Chem Sci       Date:  2017-01-19       Impact factor: 9.825

4.  In the quest for a stable triplet state in small polyaromatic hydrocarbons: an in silico tool for rational design and prediction.

Authors:  Madhumita Rano; Sumanta K Ghosh; Debashree Ghosh
Journal:  Chem Sci       Date:  2019-08-19       Impact factor: 9.825

5.  Preparative-scale synthesis of nonacene.

Authors:  Andrej Jančařík; Jan Holec; Yuuya Nagata; Michal Šámal; Andre Gourdon
Journal:  Nat Commun       Date:  2022-01-11       Impact factor: 14.919

  5 in total

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