Screening the organic materials database for superconducting metal-organic frameworks

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.

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Publication Details

Journal
PLoS ONE
Published
2024-11-08
DOI
https://doi.org/10.1371/journal.pone.0310211
Primary Topic
Metal-Organic Frameworks: Synthesis and Applications
Type
article
Field-Weighted Citation Impact
0.00

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article

Screening the organic materials database for superconducting metal-organic frameworks

Alexander C. Tyner, Alexander V. Balatsky
PLoS ONE
Metal-Organic Frameworks: Synthesis and Applications
article

Screening the organic materials database for superconducting metal-organic frameworks

Alexander C. Tyner, Alexander V. Balatsky
article en

Abstract

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.

PLoS ONEVol. 19(11)
University of Connecticut (US), Stockholm University (SE), KTH Royal Institute of Technology (SE)
Vetenskapsrådet, FP7 Ideas: European Research Council
Life in Land
Openalex Percentile: Top 84%
Metal-Organic Frameworks: Synthesis and Applications
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