2026-07-16T19:37:46Z https://archive.materialscloud.org/oai2d

oai:materialscloud.org:2267 2024-11-26T17:44:01Z community-mcarchive openaire_data

Catarina, Gonçalo Ruffieux, Pascal Pignedoli, Carlo A. Catarina, Gonçalo Turco, Elia Krane, Nils Bommert, Max Ortega-Guerrero, Andres Gröning, Oliver Ruffieux, Pascal Fasel, Roman Pignedoli, Carlo A. 2024-11-26 Phenalenyl (C₁₃H₉) is an open-shell spin-1/2 nanographene. Using scanning tunneling microscopy (STM) inelastic electron tunneling spectroscopy (IETS), covalently-bonded phenalenyl dimers have been shown to feature conductance steps associated with singlet-triplet excitations of a spin-1/2 dimer with antiferromagnetic exchange. In a recent work, we address the possibility of tuning the magnitude of the exchange interactions by varying the dihedral angle between the two molecules within a dimer. Theoretical methods, ranging from density functional theory calculations to many-body model Hamiltonians solved within different levels of approximation, are used to explain STM-IETS measurements of twisted phenalenyl dimers on a h-BN/Rh(111) surface. By means of first-principles calculations, we also propose strategies to induce sizable twist angles in surface-adsorbed phenalenyl dimers via functional groups, including a photoswitchable scheme. This record contains data that support the results discussed in the manuscript. application/octet-stream application/gzip text/markdown https://doi.org/10.24435/materialscloud:ze-41 oai:materialscloud.org:2267 mcid:2024.187 eng Materials Cloud https://doi.org/10.1021/acs.nanolett.4c03518 https://archive.materialscloud.org/communities/mcarchive https://doi.org/10.24435/materialscloud:84-jw info:eu-repo/semantics/openAccess Creative Commons Attribution 4.0 International https://creativecommons.org/licenses/by/4.0/legalcode MARVEL/P4 SNSF Magnetic nanographenes DMRG STM/STS Conformational tuning of magnetic interactions in coupled nanographenes info:eu-repo/semantics/other