University of Hertfordshire

A 2-D π–π dimer model system to investigate structure-charge transfer relationships in rubrene

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A 2-D π–π dimer model system to investigate structure-charge transfer relationships in rubrene. / Chung, Sherlyn J; McHugh, Callum J.; Calvo-Castro, Jesus.

In: Journal of Materials Chemistry C , Vol. 2019, No. 7, 23.01.2019, p. 2029-2036.

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@article{4358fa0d5c6a4ce89d5cfddbc847b8a1,
title = "A 2-D π–π dimer model system to investigate structure-charge transfer relationships in rubrene",
abstract = "Rubrene (5,6,11,12-tetraphenyltetracene) is undoubtedly one of the best performing organic charge transfer mediating materials, with experimentally determined mobilities up to 40 cm2 V−1 s−1. Consequently, there has been increasing interest by means of crystal engineering in trying to generate rubrene-based materials with analogous or even superior conducting properties. Often, experimental measurements are carried out in thin film architectures of these materials, where measured properties can be detrimentally impacted by device manufacture rather than intrinsic charge transfer properties of the material. The latter results in discarding potential good performers. To address these concerns, we report a two-dimensional model system that will allow researchers to predict charge transfer properties of their materials solely requiring the coordinates of the π–π stacking motifs. We envisaged this study to be of significant interest to the increasingly large community of materials scientists devoted to the realisation of improved organic charge mediating materials and particularly to those engaged in exploiting rubrene-based architectures.",
author = "Chung, {Sherlyn J} and McHugh, {Callum J.} and Jesus Calvo-Castro",
note = "{\textcopyright} The Royal Society of Chemistry 2019",
year = "2019",
month = jan,
day = "23",
doi = "10.1039/C8TC06412A",
language = "English",
volume = "2019",
pages = "2029--2036",
journal = "Journal of Materials Chemistry C ",
issn = "2050-7534",
publisher = "Royal Society of Chemistry",
number = "7",

}

RIS

TY - JOUR

T1 - A 2-D π–π dimer model system to investigate structure-charge transfer relationships in rubrene

AU - Chung, Sherlyn J

AU - McHugh, Callum J.

AU - Calvo-Castro, Jesus

N1 - © The Royal Society of Chemistry 2019

PY - 2019/1/23

Y1 - 2019/1/23

N2 - Rubrene (5,6,11,12-tetraphenyltetracene) is undoubtedly one of the best performing organic charge transfer mediating materials, with experimentally determined mobilities up to 40 cm2 V−1 s−1. Consequently, there has been increasing interest by means of crystal engineering in trying to generate rubrene-based materials with analogous or even superior conducting properties. Often, experimental measurements are carried out in thin film architectures of these materials, where measured properties can be detrimentally impacted by device manufacture rather than intrinsic charge transfer properties of the material. The latter results in discarding potential good performers. To address these concerns, we report a two-dimensional model system that will allow researchers to predict charge transfer properties of their materials solely requiring the coordinates of the π–π stacking motifs. We envisaged this study to be of significant interest to the increasingly large community of materials scientists devoted to the realisation of improved organic charge mediating materials and particularly to those engaged in exploiting rubrene-based architectures.

AB - Rubrene (5,6,11,12-tetraphenyltetracene) is undoubtedly one of the best performing organic charge transfer mediating materials, with experimentally determined mobilities up to 40 cm2 V−1 s−1. Consequently, there has been increasing interest by means of crystal engineering in trying to generate rubrene-based materials with analogous or even superior conducting properties. Often, experimental measurements are carried out in thin film architectures of these materials, where measured properties can be detrimentally impacted by device manufacture rather than intrinsic charge transfer properties of the material. The latter results in discarding potential good performers. To address these concerns, we report a two-dimensional model system that will allow researchers to predict charge transfer properties of their materials solely requiring the coordinates of the π–π stacking motifs. We envisaged this study to be of significant interest to the increasingly large community of materials scientists devoted to the realisation of improved organic charge mediating materials and particularly to those engaged in exploiting rubrene-based architectures.

UR - http://www.scopus.com/inward/record.url?scp=85061735847&partnerID=8YFLogxK

U2 - 10.1039/C8TC06412A

DO - 10.1039/C8TC06412A

M3 - Article

VL - 2019

SP - 2029

EP - 2036

JO - Journal of Materials Chemistry C

JF - Journal of Materials Chemistry C

SN - 2050-7534

IS - 7

ER -