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oai:figshare.com:article/33720385 2026-09-14T07:48:05Z portal_1197 item_type_3 month_year_09_2026

Data for Two-dimensional ketone-driven metal–organic coordination on Cu(111) Ada Della Pia (17205373) Massimo Riello (1348005) James M. Lawrence (24863575) Daphné Stassen (24869281) T. S. Jones (1291791) Davide Bonifazi (1348011) Alessandro De Vita (8473737) Giovanni Costantini (1293261) Nanostructures Density functionals Scanning tunneling microscopy Self-assembly (Chemistry) Surface chemistry Migrated from ePrints Two-dimensional metal-organic nanostructures based on the binding of ketone groups and metal atoms were fabricated by depositing pyrene-4,5,9,10-tetraone (PTO) molecules on a Cu(111) surface. The strongly electronegative ketone moieties bind to either copper adatoms from the substrate or co-deposited iron atoms. In the former case, scanning tunnelling microscopy images reveal the development of an extended metal-organic supramolecular structure. Each copper adatom coordinates two ketone ligands of two neighbouring PTO molecules, forming chains that are linked together into large islands via secondary van der Waals interactions. Deposition of iron atoms leads to a transformation of this assembly resulting from the substitution of the metal centres. Density functional theory calculations reveal that the driving force for the metal substitution is primarily determined by the strength of the ketone-metal bond, which is higher for Fe compared to Cu. This second class of nanostructures displays a structural dependence on the rate of iron deposition.<br><br>All of the STM images shown in the main paper and SI are located within the relevant folders. Information about the deposition conditions, etc is provided in the paper. To open these files, use either WSxM or Gwyddion (both of these are free). There may be issues with using newer versions of WSxM to open these data files, so an older version (e.g. 5.0 Develop 3.0 or earlier) is recommended. Scanning conditions are also contained within these data files. WSxM does not always show the tunnelling current used, so Gwyddion can be used to access this. Opening the files as text files in Notepad (or similar) can also yield the relevant conditions. 2016-05-10T00:00:00Z Dataset Dataset 10.82444/warw.33720385.v1 https://figshare.com/articles/dataset/Data_for_Two-dimensional_ketone-driven_metal_organic_coordination_on_Cu_111_/33720385 CC BY 4.0