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Showing 1–9 of 9 results
Advanced filters: Author: Kristjan Eimre Clear advanced filters

  • Heteroatom substitution in larger acenes represents a fundamental step towards precise engineering of the remarkable electronic properties of the acene family. Here, the authors present an on-surface synthesis strategy and detailed characterization for three undecacene analogs substituted with four nitrogen atoms.

    • Kristjan Eimre
    • José I. Urgel
    • Carlo A. Pignedoli
    ResearchOpen Access
    Nature Communications
    Volume: 13, P: 1-9

  • Using scanning tunnelling microscopy and spectroscopy, fractional edge excitations are observed in nanographene spin chains, enabling the potential to study strongly correlated phases in purely organic materials.

    • Shantanu Mishra
    • Gonçalo Catarina
    • Roman Fasel
    Research
    Nature
    Volume: 598, P: 287-292

  • On-surface methods can be used to synthesize organic molecules, polymers and nanomaterials, however, the diversity of conceivable products is limited by the number of known on-surface reactions. Now, a phenylene ring-forming reaction on a gold surface by intermolecular oxidative coupling of isopropyl substituents on arenes is reported. The reaction is probed using bond-resolved imaging and computational modelling.

    • Amogh Kinikar
    • Marco Di Giovannantonio
    • Roman Fasel
    Research
    Nature Synthesis
    Volume: 1, P: 289-296

  • Open-shell nanographenes are promising for quantum technologies, but their magnetic stability has remained limited by weak exchange coupling. Now, two large rhombus-shaped nanographenes with zigzag peripheries, one with 48 carbon atoms and the other with 70, have been synthesized on gold and copper surfaces. The 70-carbon compound exhibits a large magnetic exchange coupling exceeding 100 meV.

    • Shantanu Mishra
    • Xuelin Yao
    • Roman Fasel
    Research
    Nature Chemistry
    Volume: 13, P: 581-586

  • Topological frustration in the π-electron network of the polycyclic aromatic hydrocarbon C38H18 yields unpaired electrons and a magnetically non-trivial ground state. Here, the authors synthesize this molecule, known as Clar’s goblet, on Au(111) and characterize the antiferromagnetic ground state with scanning tunnelling microscopy.

    • Shantanu Mishra
    • Doreen Beyer
    • Roman Fasel
    Research
    Nature Nanotechnology
    Volume: 15, P: 22-28

  • Verification efforts of density-functional theory (DFT) calculations are of crucial importance to evaluate the reliability of simulation results. In this Expert Recommendation, we suggest metrics for DFT verification, illustrating them with an all-electron reference dataset of 960 equations of state covering the whole periodic table (hydrogen to curium) and discuss the importance of improving pseudopotential codes.

    • Emanuele Bosoni
    • Louis Beal
    • Giovanni Pizzi
    Reviews
    Nature Reviews Physics
    Volume: 6, P: 45-58