Thermal conductivity of benzothieno-benzothiophene derivatives at the nanoscale
Gueye, Magatte Niang (Centre national de la recherche scientifique (França). Institute for Electronics Microelectronics and Nanotechnology)
Vercouter, Alexandre (University of Mons. Laboratory for Chemistry of Novel Materials)
Jouclas, Rémy (Université Libre de Bruxelles. Laboratoire de Chimie des Polymères)
Guerin, David (Centre national de la recherche scientifique (França). Institute for Electronics Microelectronics and Nanotechnology)
Lemaur, Vincent (University of Mons. Laboratory for Chemistry of Novel Materials)
Schweicher, Guillaume (Université Libre de Bruxelles. Laboratoire de Chimie des Polymères)
Lenfant, Stephane (Centre national de la recherche scientifique (França). Institute for Electronics Microelectronics and Nanotechnology)
Antidormi, Aleandro (Institut Català de Nanociència i Nanotecnologia)
Geerts, Yves Henri (International Solvay Institutes for Physics and Chemistry (Brusel·les, Bèlgica))
Melis, Claudio (Universita di Cagliari. Dipartimento di Fisica)
Cornil, Jerome (University of Mons. Laboratory for Chemistry of Novel Materials)
Vuillaume, Dominique (Centre national de la recherche scientifique (França). Institute for Electronics Microelectronics and Nanotechnology)

Data:	2021
Resum:	We study by scanning thermal microscopy the nanoscale thermal conductance of films (40-400 nm thick) of [1]benzothieno[3,2-b][1]benzothiophene (BTBT) and 2,7-dioctyl[1]benzothieno[3,2-b][1]benzothiophene (C8-BTBT-C8). We demonstrate that the out-of-plane thermal conductivity is significant along the interlayer direction, larger for BTBT (0. 63 ± 0. 12 W m-1 K-1) compared to C8-BTBT-C8 (0. 25 ± 0. 13 W m-1 K-1). These results are supported by molecular dynamics calculations (approach to equilibrium molecular dynamics method) performed on the corresponding molecular crystals. The calculations point to significant thermal conductivity (3D-like) values along the 3 crystalline directions, with anisotropy factors between the crystalline directions below 1. 8 for BTBT and below 2. 8 for C8-BTBT-C8, in deep contrast with the charge transport properties featuring a two-dimensional character for these materials. In agreement with the experiments, the calculations yield larger values in BTBT compared to C8-BTBT-C8 (0. 6-1. 3 W m-1 K-1versus 0. 3-0. 7 W m-1 K-1, respectively). The weak thickness dependence of the nanoscale thermal resistance is in agreement with a simple analytical model.
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Llengua:	Anglès
Document:	Article ; recerca ; Versió acceptada per publicar
Matèria:	Anisotropy factor ; Approach to equilibrium ; Benzothiophene derivatives ; Crystalline directions ; Molecular dynamics calculation ; Scanning thermal microscopy ; Thermal conductance ; Thickness dependence
Publicat a:	Nanoscale, Vol. 13, issue 6 (Feb. 2021) , p. 3800-3807, ISSN 2040-3372

DOI: 10.1039/d0nr08619c

Postprint 24 p, 2.2 MB

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