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  Searching Materials Space for Hydride Superconductors at Ambient Pressure

Cerqueira, T. F. T., Fang, Y., Errea, I., Sanna, A., & Marques, M. A. L. (2024). Searching Materials Space for Hydride Superconductors at Ambient Pressure. Advanced Functional Materials, 2404043. doi:10.1002/adfm.202404043.

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Adv Funct Materials-2024-Cerqueira.pdf (Publisher version), 2MB
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Adv Funct Materials-2024-Cerqueira.pdf
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2024
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https://doi.org/10.1002/adfm.202404043 (Publisher version)
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 Creators:
Cerqueira, Tiago F. T.1, Author
Fang, Yue‐Wen1, Author
Errea, Ion1, Author
Sanna, Antonio2, Author                 
Marques, Miguel A. L.1, Author
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1External Organizations, ou_persistent22              
2Max Planck Institute of Microstructure Physics, Max Planck Society, ou_2415691              

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 Abstract: A machine-learning-assisted approach is employed to search for superconducting hydrides under ambient pressure within an extensive dataset comprising over 150 000 compounds. The investigation yields ≈50 systems with transition temperatures surpassing 20 K, and some even reaching above 70 K. These compounds have very different crystal structures, with different dimensionality, chemical composition, stoichiometry, and arrangement of the hydrogens. Interestingly, most of these systems display slight thermodynamic instability, implying that their synthesis will re quire conditions beyond ambient equilibrium. Moreover, a consistent chemical composition is found in the majority of these systems, which combines alkali or alkali-earth elements with noble metals. This observation suggests a promising avenue for future experimental investigations into high-temperature superconductivity within hydrides at ambient pressure.

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 Dates: 2024-06-19
 Publication Status: Published online
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 Identifiers: DOI: 10.1002/adfm.202404043
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Title: Advanced Functional Materials
  Abbreviation : Adv. Funct. Mater.
Source Genre: Journal
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Publ. Info: Weinheim : Wiley-VCH
Pages: - Volume / Issue: - Sequence Number: 2404043 Start / End Page: - Identifier: ISSN: 1616-301X
CoNE: https://pure.mpg.de/cone/journals/resource/954925596563