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oai:figshare.com:article/33763009 2026-09-14T21:44:17Z portal_1197 item_type_3 month_year_09_2026

Data for Quantifying the ‘subtle interplay’ between intermolecular and molecule-substrate interactions in molecular assembly on surfaces Thomas. W. White (24905158) Natalia Martsinovich (1286574) Alessandro Troisi (1281210) Giovanni Costantini (1293261) Self-assembly (Chemistry) Chemistry, Organic Migrated from ePrints The effect of the concurrent action of intermolecular and molecule-substrate interactions on the two-dimensional (2-D) self-assembly of organic molecules on solid surfaces is investigated in a combined experimental and theoretical effort. Scanning tunnelling microscopy measurements of terephthalic acid on the Cu(111) surface, a model system where the interplay between the two interactions is particularly evident, are used to develop a general, simple and computationally inexpensive model that quantitatively accounts for the experimental observations. The model, related to the well-known Frenkel-Kontorova model, offers a comprehensive description of the ‘subtle interplay’ between intermolecular and molecule-substrate interactions and provides a qualitative and quantitative predictive capability in the design and fabrication of 2-D molecular nanostructures at surfaces.The effect of the concurrent action of intermolecular and molecule-substrate interactions on the two-dimensional (2-D) self-assembly of organic molecules on solid surfaces is investigated in a combined experimental and theoretical effort. Scanning tunnelling microscopy measurements of terephthalic acid on the Cu(111) surface, a model system where the interplay between the two interactions is particularly evident, are used to develop a general, simple and computationally inexpensive model that quantitatively accounts for the experimental observations. The model, related to the well-known Frenkel-Kontorova model, offers a comprehensive description of the ‘subtle interplay’ between intermolecular and molecule-substrate interactions and provides a qualitative and quantitative predictive capability in the design and fabrication of 2-D molecular nanostructures at surfaces.<br><br>Original (x,y,z) matrices for the STM data shown in the paper in figure 2 - which shows typical STM images obtained after sub-monolayer quantities of TPA were deposited onto Cu(111). 2018-07-19T00:00:00Z Dataset Dataset 10.82444/warw.33763009.v1 https://figshare.com/articles/dataset/Data_for_Quantifying_the_subtle_interplay_between_intermolecular_and_molecule-substrate_interactions_in_molecular_assembly_on_surfaces/33763009 CC BY 4.0