TY - JOUR

T1 - Molecular Quantum Rings Formed from a π -Conjugated Macrocycle

AU - Judd, Chris J.

AU - Nizovtsev, Anton S.

AU - Plougmann, Rikke

AU - Kondratuk, Dmitry V.

AU - Anderson, Harry L.

AU - Besley, Elena

AU - Saywell, Alex

N1 - Funding Information: Computational work was supported by the Leverhulme Trust (Grant No. RPG-2016-104). E. B. acknowledges financial support from a Royal Society Wolfson Fellowship. C. J. J. acknowledges EPSRC funding via a doctoral training grant. A. S. acknowledges funding from the Programme (Marie Curie Actions) of the European Union’s Seventh Framework Programme (623992-TOPCHEM) and support via a Royal Society University Research Fellowship. Calculations were performed using the High Performance Computing facility at the University of Nottingham. We also acknowledge the use of Athena at HPC funded by the EPSRC (Grant No. EP/P020232/1) as part of the HPC consortium. H. L. A. and D. V. K. thank the EPSRC (Grant No. EP/J007161/1) and the ERC (Grant No. 320969) for support. Publisher Copyright: © 2020 authors. Published by the American Physical Society. Published by the American Physical Society under the terms of the "https://creativecommons.org/licenses/by/4.0/"Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article's title, journal citation, and DOI. Copyright: Copyright 2020 Elsevier B.V., All rights reserved.

PY - 2020/11/13

Y1 - 2020/11/13

N2 - The electronic structure of a molecular quantum ring (stacks of 40-unit cyclic porphyrin polymers) is characterized via scanning tunneling microscopy and scanning tunneling spectroscopy. Our measurements access the energetic and spatial distribution of the electronic states and, utilizing a combination of density functional theory and tight-binding calculations, we interpret the experimentally obtained electronic structure in terms of coherent quantum states confined around the circumference of the π-conjugated macrocycle. These findings demonstrate that large (53 nm circumference) cyclic porphyrin polymers have the potential to act as molecular quantum rings.

AB - The electronic structure of a molecular quantum ring (stacks of 40-unit cyclic porphyrin polymers) is characterized via scanning tunneling microscopy and scanning tunneling spectroscopy. Our measurements access the energetic and spatial distribution of the electronic states and, utilizing a combination of density functional theory and tight-binding calculations, we interpret the experimentally obtained electronic structure in terms of coherent quantum states confined around the circumference of the π-conjugated macrocycle. These findings demonstrate that large (53 nm circumference) cyclic porphyrin polymers have the potential to act as molecular quantum rings.

KW - BASIS-SETS

KW - CURRENTS

UR - http://www.scopus.com/inward/record.url?scp=85096141558&partnerID=8YFLogxK

U2 - 10.1103/PhysRevLett.125.206803

DO - 10.1103/PhysRevLett.125.206803

M3 - Article

C2 - 33258651

AN - SCOPUS:85096141558

VL - 125

JO - Physical Review Letters

JF - Physical Review Letters

SN - 0031-9007

IS - 20

M1 - 206803

ER -