AFM; Alkyl chain; Benzothiophene; Benzothiophene derivatives; DFT study; Interfacial thermal resistance; Molecular junction; Thermal conductance; Thermal transport; Thermoelectric properties; Materials Science (all); Physical and Theoretical Chemistry; Physics - Mesoscopic Systems and Quantum Hall Effect; physics.app-ph
Abstract :
[en] We report a combined experimental (C-AFM and SThM) and theoretical (DFT) study of the thermoelectric properties of molecular junctions made of self-assembled monolayers on Au of thiolated benzothieno-benzothiophene (BTBT) and alkylated BTBT derivatives (C8-BTBT-C8). We measure the thermal conductance per molecule at 15 and 8.8 pW/K, respectively, among the lowest values for molecular junctions so far reported (10-50 pW/K). The lower thermal conductance for C8-BTBT-C8 is consistent with two interfacial thermal resistances introduced by the alkyl chains, which reduce the phononic thermal transport in the molecular junction. The Seebeck coefficients are 36 and 245 μV/K, respectively, the latter due to the weak coupling of the core BTBT with the electrodes. We deduce a thermoelectric figure of merit ZT up to ≈10-4 for the BTBT molecular junctions at 300 K, on a par with the values reported for archetype molecular junctions (oligo(phenylene ethynylene) derivatives).
Disciplines :
Chemistry
Author, co-author :
Gonzalez-Casal, Sergio; Institute for Electronics Microelectronics and Nanotechnology (IEMN), CNRS, Av. Poincaré, Villeneuve d'Ascq 59652, France
Jouclas, Rémy; Laboratory of Polymer Chemistry, Université Libre de Bruxelles, Bd. du triomphe, Bruxelles 1050, Belgium
Arbouch, Imane ; Université de Mons - UMONS > Faculté des Sciences > Service de Chimie des matériaux nouveaux
Geerts, Yves Henri ; Laboratory of Polymer Chemistry, Université Libre de Bruxelles, Bd. du triomphe, Bruxelles 1050, Belgium ; International Solvay Institutes of Physics and Chemistry, Université Libre de Bruxelles, Bd. du Triomphe, Bruxelles 1050, Belgium
VAN DYCK, Colin ; Université de Mons - UMONS > Faculté des Sciences > Service Chimie Physique Théorique
Cornil, Jérôme ; Université de Mons - UMONS > Faculté des Sciences > Service de Chimie des matériaux nouveaux
Vuillaume, Dominique ; Institute for Electronics Microelectronics and Nanotechnology (IEMN), CNRS, Av. Poincaré, Villeneuve d'Ascq 59652, France
Language :
English
Title :
Thermoelectric Properties of Benzothieno-Benzothiophene Self-Assembled Monolayers in Molecular Junctions.
R150 - Institut de Recherche sur les Systèmes Complexes R400 - Institut de Recherche en Science et Ingénierie des Matériaux
Funders :
Agence Nationale de la Recherche Fédération Wallonie-Bruxelles Fonds De La Recherche Scientifique - FNRS
Funding text :
S.G.C. and D.V. acknowledge support from the ANR (# ANR-21-CE30-0065, project HotElo). Y.G. is thankful to the Belgian National Fund for Scientific Research (FNRS) for financial support through research projects Pi-Fast (No T.0072.18), Pi-Chir (No T.0094.22), 2D to 3D (No 30489208), and CHISUB (No 40007495). Financial supports from the Fe\u0301de\u0301ration Wallonie-Bruxelles (ARC No 20061) is also acknowledged. The research in Mons is supported by the Belgian National Fund for Scientific Research (FRS-FNRS) via the EOS CHISUB project (No 40007495) and within the Consortium des E\u0301quipements de Calcul Intensif - CE\u0301CI (Grant Number U.G.018.18), and by the Walloon Region (LUCIA Tier-1 supercomputer; Grant Number 1910247). J.C. is an FNRS research director.S.G.C. and D.V. acknowledge support from the ANR (# ANR-21-CE30-0065, project HotElo). Y.G. is thankful to the Belgian National Fund for Scientific Research (FNRS) for financial support through research projects Pi-Fast (No T.0072.18), Pi-Chir (No T.0094.22), 2D to 3D (No 30489208), and CHISUB (No 40007495). Financial supports from the Fe\u0301de\u0301ration Wallonie-Bruxelles (ARC No 20061) is also acknowledged. The research in Mons is supported by the Belgian National Fund for Scientific Research (FRS-FNRS) via the EOS CHISUB project (No 40007495) and within the Consortium des E\u0301quipements de Calcul Intensif \u2013 CE\u0301CI (Grant Number U.G.018.18), and by the Walloon Region (LUCIA Tier-1 supercomputer; Grant Number 1910247). J.C. is an FNRS research director.
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