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Screening the organic materials database for superconducting metal-organic frameworks
KTH, Centres, Nordic Institute for Theoretical Physics NORDITA. Nordita SU; Stockholm University, Stockholm, Sweden; Department of Physics, University of Connecticut, Storrs, Connecticut, United States of America.ORCID iD: 0000-0003-4265-1824
KTH, Centres, Nordic Institute for Theoretical Physics NORDITA. KTH, School of Engineering Sciences (SCI), Applied Physics, Light and Matter Physics. Department of Physics, University of Connecticut, Storrs, Connecticut, United States of America.ORCID iD: 0000-0001-6510-8870
2024 (English)In: PLOS ONE, E-ISSN 1932-6203, Vol. 19, no 11, article id e0310211Article in journal (Refereed) Published
Abstract [en]

The increasing financial and environmental cost of many inorganic materials has motivated study into organic and “green” alternatives. However, most organic compounds contain a large number of atoms in the primitive unit cell, posing a significant barrier to high-throughput screening for functional properties. In this work, we attempt to overcome this challenge and identify superconducting candidates among the metal-organic-frameworks in the organic materials database using a recently proposed proxy for the electron-phonon coupling. We then isolate the most promising candidate for in-depth analysis, C9H8Mn2O11, providing evidence for superconductivity below 100mK.

Place, publisher, year, edition, pages
Public Library of Science (PLoS) , 2024. Vol. 19, no 11, article id e0310211
National Category
Condensed Matter Physics
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URN: urn:nbn:se:kth:diva-356692DOI: 10.1371/journal.pone.0310211ISI: 001352127000040PubMedID: 39514523Scopus ID: 2-s2.0-85208550211OAI: oai:DiVA.org:kth-356692DiVA, id: diva2:1914863
Note

QC 20250122

Available from: 2024-11-20 Created: 2024-11-20 Last updated: 2025-01-22Bibliographically approved

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Tyner, AlexanderBalatsky, Alexander V.

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