dc.contributor.author | Cerqueira, Tiago F. T. | |
dc.contributor.author | Fang, Yue-Wen | |
dc.contributor.author | Errea Lope, Ion ![ORCID](/themes/Mirage2//images/orcid_16x16.png) | |
dc.contributor.author | Sanna, Antonio | |
dc.contributor.author | Marques, Miguel A. L. | |
dc.date.accessioned | 2024-07-09T08:54:04Z | |
dc.date.available | 2024-07-09T08:54:04Z | |
dc.date.issued | 2024-06-19 | |
dc.identifier.citation | Advanced Functional Materials : (2024) // Article ID 2404043 | es_ES |
dc.identifier.issn | 1616-301X | |
dc.identifier.issn | 1616-3028 | |
dc.identifier.uri | http://hdl.handle.net/10810/68853 | |
dc.description.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. | es_ES |
dc.description.sponsorship | T.F.T.C. acknowledges financial support from FCT - Fundação para a Ciência e Tecnologia, I.P. through the projects UIDB/04564/2020, UIDP/04564/2020 and CEECINST/00152/2018/CP1570/CT0006, with DOI identifiers 10.54499/UIDB/04564/2020, 10.54499/UIDP/04564/2020, and 10.54499/CEECINST/00152/2018/CP1570/CT0006, respectively. Computational resources provided by UC-LCA, funded by FCT I.P. under the project Advanced Computing Project 2022.15822.CPCA. M.A.L.M. acknowledges partial funding from Horizon Europe MSCA Doctoral network grant n.101073486, EUSpecLab, funded by the European Union, and from the Keele Foundation through the SuperC collaboration. Y.-W.F. and I.E. received funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation programme (Grant Agreement No. 802533) and acknowledge PRACE for awarding access to the EuroHPC supercomputer LUMI located in CSC's data center in Kajaani, Finland through EuroHPC Joint Undertaking (EHPC-REG-2022R03-090). I.E. also acknowledges funding from the Spanish Ministry of Science and Innovation (Grant No. PID2022-142861NA-I00) and the Department of Education, Universities and Research of the Basque Government and the University of the Basque Country (Grant No. IT1527-22). The authors acknowledge enlightening discussions with the partners of the SuperC collaboration. | es_ES |
dc.language.iso | eng | es_ES |
dc.publisher | Wiley | es_ES |
dc.relation | info:eu-repo/grantAgreement/EC/H2020/802533 | es_ES |
dc.relation | info:eu-repo/grantAgreement/MCIN/PID2022-142861NA-I00 | es_ES |
dc.rights | info:eu-repo/semantics/openAccess | es_ES |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/4.0/ | * |
dc.title | Searching Materials Space for Hydride Superconductors at Ambient Pressure | es_ES |
dc.type | info:eu-repo/semantics/article | es_ES |
dc.rights.holder | © 2024 The Author(s) published by Wiley-VCH GmbH. This is an open access article under the terms of the Creative Commons Attribution-NonCommercial-NoDerivs License, | es_ES |
dc.relation.publisherversion | https://doi.org/10.1002/adfm.202404043 | es_ES |
dc.identifier.doi | 10.1002/adfm.202404043 | |
dc.contributor.funder | European Commission | |
dc.departamentoes | Física aplicada I | es_ES |
dc.departamentoeu | Fisika aplikatua I | es_ES |