Role of Sn atoms on the Crotonaldehyde (2-Butenal) adsorption over bimetallic catalysts PtSn(110), Pt3Sn(111)/Pt(111), Pt3Sn(111) and PtSn4(010): A periodic DFT study

In this study, adsorption of crotonaldehyde (C4H6O) on catalysts composed by Pt and Sn was examined using periodic density functional theory (DFT) calculations. Therefore, different compositions of catalysts were evaluated such as, PtSn(110), Pt3Sn(111), PtSn4(010) and Pt3Sn(111)/Pt(111) surfaces. T...

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Bibliographic Details
Main Authors: Mario Saavedra-Torres, Felipe Toledo, Yoan Hidalgo-Rosa, David Contreras, Eduardo Schott, Ximena Zarate
Format: Article
Language:English
Published: Elsevier 2025-05-01
Series:Results in Chemistry
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Online Access:http://www.sciencedirect.com/science/article/pii/S2211715625002073
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