Deciphering the Phillips Catalyst by Orbital Analysis and Supervised Machine Learning from Cr Pre-edge XANES of Molecular Libraries

Unveiling the nature and the distribution of surface sites in heterogeneous catalysts, and for the Phillips catalyst (CrO3/SiO2) in particular, is still a grand challenge despite more than 60 years of research. Commonly used references in Cr K-edge XANES spectral analysis rely on bulk materials (Cr-...

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Veröffentlicht in:	Journal of the American Chemical Society 2021-05, Vol.143 (19), p.7326-7341
Hauptverfasser:	Trummer, David, Searles, Keith, Algasov, Alexander, Guda, Sergey A, Soldatov, Alexander V, Ramanantoanina, Harry, Safonova, Olga V, Guda, Alexander A, Copéret, Christophe
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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