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Intermetallic structures with atomic precision for selective hydrogenation of nitroarenes

TitleIntermetallic structures with atomic precision for selective hydrogenation of nitroarenes
Publication TypeJournal Article
Year of Publication2017
AuthorsPei, YC, Qi, ZY, Goh, TW, Wang, LL, Maligal-Ganesh, RV, MacMurdo, HL, Zhang, SR, Xiao, CX, Li, XL, Tao, F, Johnson, DD, Huang, WK
JournalJournal of Catalysis
Volume356
Pagination307-314
Date Published12
Type of ArticleArticle
ISBN Number0021-9517
Accession NumberWOS:000418223300029
Keywords3-Nitrostyrene, catalytic-properties, chemistry, chemoselective, co, dissociation, Engineering, Horiuti-Polany mechanism, horiuti-polanyi mechanism, Hydrogen dissociation, hydrogenation, Intermetallic compounds, nanoparticles, nitrobenzene, platinum catalysts, Platinum-tin alloy, site, sn, sn/pt(111) surface alloys, Threefold
Abstract

99% selectivity to hydrogenate the nitro group of 3-nitrostyrene albeit with a lower activity, in contrast to Pt3Sn iNPs and Pt NPs. The geometric structure of PtSn iNPs in eliminating Pt threefold sites hampers the adsorption/dissociation of molecular H-2 and leads to a non-Horiuti-Polanyi hydrogenation pathway, while Pt3Sn and Pt surfaces are saturated by atomic H. Calculations using density functional theory (DFT) suggest a preferential adsorption of the nitro group on the intermetallic PtSn surface contributing to its high selectivity. (C) 2017 Elsevier Inc. All rights reserved.

DOI10.1016/j.jcat.2017.10.011
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Short TitleJ. Catal.