2022
DOI: 10.1088/1361-648x/ac8a7f
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Carbon-based nanostructures as a versatile platform for tunable π-magnetism

Abstract: Emergence of π-magnetism in open-shell nanographenes has been theoretically predicted decades ago but their experimental characterization was elusive due to the strong chemical reactivity that makes their synthesis and stabilization difficult. In recent years, on-surface synthesis under vacuum conditions has provided unprecedented opportunities for atomically precise engineering of nanographenes, which in combination with scanning probe techniques have led to a substantial progress in our capabilities to reali… Show more

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Cited by 58 publications
(81 citation statements)
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“…To corroborate our theoretical findings, we perform the onsurface syntheses of the aforementioned NGs and explore their electronic structure using STM and STS at a submolecular resolution. Consistent with the theoretical picture, we find that A [3,5], B [4,5], and C [4,3] exhibit open-shell ground states. Markedly, for these three NGs, we find large values of MEC, viz., 116 (A [3,5]), 183 (B [4,5]), and 190 meV (C [4,3]), thus achieving the largest MEC value reported to date for carbon nanostructures on surfaces.…”
Section: ■ Conclusionsupporting
confidence: 87%
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“…To corroborate our theoretical findings, we perform the onsurface syntheses of the aforementioned NGs and explore their electronic structure using STM and STS at a submolecular resolution. Consistent with the theoretical picture, we find that A [3,5], B [4,5], and C [4,3] exhibit open-shell ground states. Markedly, for these three NGs, we find large values of MEC, viz., 116 (A [3,5]), 183 (B [4,5]), and 190 meV (C [4,3]), thus achieving the largest MEC value reported to date for carbon nanostructures on surfaces.…”
Section: ■ Conclusionsupporting
confidence: 87%
“…Based on this and from comparison of the experimental dI/dV maps with the DFT-calculated dI/dV maps (Figure 3g), we ascribe the frontier resonances to tunneling to/from the SUMO/SOMO of the NGs, which further supports the openshell ground states of A [3,5], B [4,5], and C [4,3]. The frontier electronic gaps of A [3,5], B [4,5], and C [4,3] are deduced to be 0.98, 1.00, and 1.05 eV, respectively. Finally, for both the closed-and open-shell states of the NGs, we performed manybody perturbation theory calculations in the GW approximation (where G and W denote Green's function and the screened Coulomb potential, respectively), together with image charge (IC) corrections, which include screening effects from the underlying Au(111) surface (see Table S2 in the Supporting Information).…”
Section: ■ Results and Discussionmentioning
confidence: 91%
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“…With the advanced developments of on-surface synthesis, [3][4][5][6][7][8][9] nanographenes can be precisely fabricated with well-de ned -electron topologies upon the design of molecular precursors, [10][11][12][13] which are ideal models for investigating carbon-based magnetism and the underlying mechanism of magnetic exchange interaction. 14 To induce magnetism in nanographenes, embedding substitutional heteroatoms [15][16][17][18] or incorporating pentagon rings [19][20][21][22][23] have been employed in nanographenes upon on-surface synthesis. Besides these approaches, creating sublattice imbalance in bipartite lattices can also generate net spins as predicted by Ovchinnikov's rule and Lieb's theorem.…”
Section: Full Textmentioning
confidence: 99%