Adsorbate-dependent electronic structure descriptors for machine learning-driven binding energy predictions in diverse single atom alloys: a reductionist approach

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DOIResolve DOI: https://doi.org/10.1021/acs.jpcc.3c07398
AuthorSearch for: ORCID identifier: https://orcid.org/0000-0002-3365-3548; Search for: 1ORCID identifier: https://orcid.org/0000-0003-2930-0325; Search for: 1ORCID identifier: https://orcid.org/0000-0001-8619-9441; Search for: ORCID identifier: https://orcid.org/0000-0001-9884-1403
Affiliation
  1. National Research Council of Canada. Digital Technologies
FunderSearch for: National Research Council Canada; Search for: Faculty of Engineering, McGill University
FormatText, Article
Subjectadsorption; binding energy; electronic structure; energy; impurities
Abstract
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PublisherAmerican Chemical Society
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LanguageEnglish
Peer reviewedYes
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Record identifiera2146057-2161-4ba7-8701-300454c0f2a9
Record created2024-03-11
Record modified2024-10-16
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