ArticleThe journal of physical chemistry. C, Nanomaterials and interfaces2022
Role of Adatoms for the Adsorption of F4TCNQ on Au(111).
Article in The journal of physical chemistry. C, Nanomaterials and interfaces, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
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Who cites it
4 citing papers in PubMed.
- Ni-Doping as a Design Strategy for Fe-Based Catalysts: Towards Efficient CONanomaterials (Basel, Switzerland) · 2026Article
- Insight into the Ehrlich-Schwoebel barrier via three-dimensional atomic force microscopy mapping of surface potentials on Au (111).Communications materials · 2026Article
- Thermally-induced nickelocene fragmentation and one-dimensional chain assembly on Au(111).Communications chemistry · 2025Article
- How the Support Defines Properties of 2D Metal-Organic Frameworks: Fe-TCNQ on Graphene versus Au(111).Journal of the American Chemical Society · 2024Article
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Authors and funding
4 authors.
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Abstract
Organic adlayers on inorganic substrates often contain adatoms, which can be incorporated within the adsorbed molecular species, forming two-dimensional metal-organic frameworks at the substrate surface. The interplay between native adatoms and adsorbed molecules significantly changes various adlayer properties such as the adsorption geometry, the bond strength between the substrate and the adsorbed species, or the work function at the interface. Here, we use dispersion-corrected density functional theory to gain insight into the energetics that drive the incorporation of native adatoms within molecular adlayers based on the prototypical, experimentally well-characterized system of F4TCNQ on Au(111). We explain the adatom-induced modifications in the adsorption geometry and the adsorption energy based on the electronic structure and charge transfer at the interface.
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Registered trials
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