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C 1s core-level fingerprints of reconstructed titanium vacancies in titanium carbide

Koch, Jakub et al.
arXiv (All) · Papers
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materials-science
Recent first-principles searches predict that a titanium vacancy in rocksalt TiC is not an empty octahedral site but can reconstruct through the formation of carbon Frenkel pairs and short C-C bonds. We determine the C 1s signatures of these local structures and assess whether they remain specific i
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