Designing effective single-molecule electromagnets with radially π-conjugated carbon structures.

Wanzhuo Shi, Richard Korytár, Ferdinand Evers, John D Tovar, Latha Venkataraman

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Article in Nature communications, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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4 · The record

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5 · Who and what money

Authors and funding

5 authors.

Wanzhuo ShiDepartment of Chemistry, Columbia University, New York, NY, USA.ORCID http://orcid.org/0000-0003-2103-9185

Richard KorytárInstitute of Theoretical Physics, University of Regensburg, Regensburg, Germany.ORCID https://orcid.org/0000-0003-4949-4147

Ferdinand EversInstitute of Theoretical Physics, University of Regensburg, Regensburg, Germany.ORCID http://orcid.org/0000-0003-1343-1662

John D TovarDepartment of Chemistry, Johns Hopkins University, Baltimore, MD, USA.ORCID https://orcid.org/0000-0002-9650-2210

Latha VenkataramanDepartment of Chemistry, Columbia University, New York, NY, USA. latha.venkataraman@ist.ac.at.ORCID http://orcid.org/0000-0002-6957-6089

Funding

NSF | Directorate for Mathematical & Physical Sciences | Division of Materials Research (DMR) 2241180

6 · The paper itself

Abstract

When charge flows through a molecular circuit, it induces a magnetic field that allows the circuit to behave as a nanoscale electromagnet. However, in single-molecule circuits this magnetic field is usually weak. Here we show that radially π-conjugated carbon structures can support amplified circulating currents that generate local magnetic fields. Within tight-binding and density functional theory (DFT) frameworks, we first study cycloparaphenylene (CPP) junctions where both electrodes are attached to the same phenylene unit on the nanohoop. We observe an energy-dependent ring current component that traverses the whole macrocycle by mapping the local current density. Importantly, we find that destructive interference near degenerate resonances can reverse the ring current direction and amplify it strongly relative to the source-drain current. We show that this interference-driven design principle is general, and also carries over to C

Identifiers

PMID42277037

DOI10.1038/s41467-026-74365-6

PMCPMC13442874

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.