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Probing active sites in Cux Pdy cluster catalysts by machine-learning-assisted X-ray absorption spectroscopy
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SYSNO ASEP 0544599 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Probing active sites in Cux Pdy cluster catalysts by machine-learning-assisted X-ray absorption spectroscopy Tvůrce(i) Liu, Y. (US)
Halder, A. (US)
Seifert, S. (US)
Marcella, N. (US)
Vajda, Štefan (UFCH-W) RID, ORCID
Frenkel, A. I. (US)Zdroj.dok. ACS Applied Materials and Interfaces. - : American Chemical Society - ISSN 1944-8244
Roč. 13, č. 45 (2021), s. 53363-53374Poč.str. 12 s. Jazyk dok. eng - angličtina Země vyd. US - Spojené státy americké Klíč. slova deep learning ; machine learning ; nanocatalysts ; nanoclusters ; size-selected clusters ; xanes Vědní obor RIV CF - Fyzikální chemie a teoretická chemie Obor OECD Physical chemistry Způsob publikování Omezený přístup Institucionální podpora UFCH-W - RVO:61388955 UT WOS 000752870800007 EID SCOPUS 85111204787 DOI 10.1021/acsami.1c06714 Anotace Size-selected clusters are important model catalysts because of their narrow size and compositional distributions, as well as enhanced activity and selectivity in many reactions. Still, their structure-activity relationships are, in general, elusive. The main reason is the difficulty in identifying and quantitatively characterizing the catalytic active site in the clusters when it is confined within subnanometric dimensions and under the continuous structural changes the clusters can undergo in reaction conditions. Using machine learning approaches for analysis of the operando X-ray absorption near-edge structure spectra, we obtained accurate speciation of the CuxPdy cluster types during the propane oxidation reaction and the structural information about each type. As a result, we elucidated the information about active species and relative roles of Cu and Pd in the clusters. Pracoviště Ústav fyzikální chemie J.Heyrovského Kontakt Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196 Rok sběru 2022 Elektronická adresa http://hdl.handle.net/11104/0321438
Počet záznamů: 1