Article (Scientific journals)
Conformation-Dependent Monolayer and Bilayer Structures of an Alkylated TTF Derivative Revealed using STM and Molecular Modeling
Delfino, Catarina L.; Hao, Yansong; Martin, Cristina et al.
2023In Journal of Physical Chemistry. C, Nanomaterials and interfaces, 127 (47), p. 23023 - 23033
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Keywords :
Bi-layer structure; Experimental approaches; Forcefields; Liquid/solid interface; Molecular networks; Monolayer structures; Network formation; Quantum chemical calculations; Tetrathiafulvalenes; TTF derivatives; Electronic, Optical and Magnetic Materials; Energy (all); Physical and Theoretical Chemistry; Surfaces, Coatings and Films; General Energy
Abstract :
[en] In this study, the multilayer self-assembled molecular network formation of an alkylated tetrathiafulvalene compound is studied at the liquid-solid interface between 1-phenyloctane and graphite. A combined theoretical/experimental approach associating force-field and quantum-chemical calculations with scanning tunneling microscopy is used to determine the two-dimensional self-assembly beyond the monolayer but also to further the understanding of the molecular adsorption conformation and its impact on the molecular packing within the assemblies at the monolayer and bilayer level.
Research center :
CIRMAP - Centre d'Innovation et de Recherche en Matériaux Polymères
Disciplines :
Chemistry
Author, co-author :
Delfino, Catarina L. ;  Division of Molecular Imaging and Photonics, Department of Chemistry, KU Leuven, Leuven, Belgium
Hao, Yansong   ;  Université de Mons - UMONS > Faculté des Science > Service de Chimie des matériaux nouveaux ; Electron Microscopy for Materials Science (EMAT) and NANOlab Center of Excellence, University of Antwerp, Antwerp, Belgium
Martin, Cristina;  Department of Physical Chemistry, Faculty of Pharmacy, University of Castilla-La Mancha, Albacete, Spain
Minoia, Andréa ;  Université de Mons - UMONS > Faculté des Science > Service de Chimie des matériaux nouveaux
Gopi, Elumalai;  Laboratory of Polymer Chemistry, Faculty of Science, Université Libre de Bruxelles (ULB), Brussels, Belgium ; International Solvay Institutes of Physics and Chemistry, ULB, Brussels, Belgium
Mali, Kunal S. ;  Division of Molecular Imaging and Photonics, Department of Chemistry, KU Leuven, Leuven, Belgium
Van der Auweraer, Mark;  Division of Molecular Imaging and Photonics, Department of Chemistry, KU Leuven, Leuven, Belgium
Geerts, Yves Henri ;  Laboratory of Polymer Chemistry, Faculty of Science, Université Libre de Bruxelles (ULB), Brussels, Belgium ; International Solvay Institutes of Physics and Chemistry, ULB, Brussels, Belgium
Van Aert, Sandra;  Electron Microscopy for Materials Science (EMAT) and NANOlab Center of Excellence, University of Antwerp, Antwerp, Belgium
Lazzaroni, Roberto  ;  Université de Mons - UMONS > Faculté des Science > Service de Chimie des matériaux nouveaux
De Feyter, Steven ;  Division of Molecular Imaging and Photonics, Department of Chemistry, KU Leuven, Leuven, Belgium
 These authors have contributed equally to this work.
Language :
English
Title :
Conformation-Dependent Monolayer and Bilayer Structures of an Alkylated TTF Derivative Revealed using STM and Molecular Modeling
Publication date :
30 November 2023
Journal title :
Journal of Physical Chemistry. C, Nanomaterials and interfaces
ISSN :
1932-7447
eISSN :
1932-7455
Publisher :
American Chemical Society
Volume :
127
Issue :
47
Pages :
23023 - 23033
Peer reviewed :
Peer Reviewed verified by ORBi
Research unit :
S817 - Chimie des matériaux nouveaux
Research institute :
R400 - Institut de Recherche en Science et Ingénierie des Matériaux
Funders :
European Commission
Ministerio de Ciencia e Innovaci?n
European Regional Development Fund
KU Leuven
Fonds Wetenschappelijk Onderzoek
Fonds De La Recherche Scientifique - FNRS
Junta de Comunidades de Castilla-La Mancha
Waalse Gewest
Funding text :
Financial support from the Research Foundation-Flanders (FWO G081518N, G0A3220N) and KU Leuven-Internal Funds (C14/19/079) is acknowledged. This work was in part supported by FWO and F. R. S.-FNRS under the Excellence of Science EOS program (project 30489208 and 40007495). C.M. acknowledges the financial support of Grants PID2021-128761OA-C22 and CNS2022-136052 funded by MCIN/AEI/10.13039/501100011033 by the “European Union” and SBPLY/21/180501/000127 funded by JCCM and by the EU through “Fondo Europeo de Desarollo Regional” (FEDER). Research in Mons is also supported by the Belgian National Fund for Scientific Research (FRS-FNRS) within the Consortium des Équipements de Calcul Intensif-CÉCI, under Grant 2.5020.11 and by the Walloon Region (ZENOBE Tier-1 supercomputer, under Grant 1117545).
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