Search: onr:"swepub:oai:research.chalmers.se:8e641aff-61b0-49bf-a676-59d9cbfe57e7" >
Understanding the I...
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Mehar, VikramUniversity of Florida,Florida Museum Natural History
(author)
Understanding the Intrinsic Surface Reactivity of Single-Layer and Multilayer PdO(101) on Pd(100)
- Article/chapterEnglish2018
Publisher, publication year, extent ...
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2018-08-03
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American Chemical Society (ACS),2018
Numbers
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LIBRIS-ID:oai:research.chalmers.se:8e641aff-61b0-49bf-a676-59d9cbfe57e7
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https://research.chalmers.se/publication/505017URI
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https://research.chalmers.se/publication/506386URI
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https://doi.org/10.1021/acscatal.8b02191DOI
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https://research.chalmers.se/publication/505576URI
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https://lup.lub.lu.se/record/9b394eb1-4a73-4f61-8b41-d2311201e8c7URI
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https://urn.kb.se/resolve?urn=urn:nbn:se:mau:diva-2351URI
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Language:English
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Summary in:English
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We investigated the intrinsic reactivity of CO on single-layer and multilayer PdO(101) grown on Pd(100) using temperature-programmed reaction spectroscopy (TPRS) and reflection absorption infrared spectroscopy (RAIRS) experiments, as well as density functional theory (DFT) calculations. We find that CO binds more strongly on multilayer than single-layer PdO(101) (∼119 kJ/mol vs 43 kJ/mol), and that CO oxidizes negligibly on single-layer PdO(101), whereas nearly 90% of a saturated layer of CO oxidizes on multilayer PdO(101) during TPRS experiments. RAIRS further shows that CO molecules adsorb on both bridge-Pdcusand atop-Pdcussites (coordinatively unsaturated Pd sites) of single-layer PdO(101)/Pd(100), while CO binds exclusively on atop-Pdcussites of multilayer PdO(101). The DFT calculations reproduce the much stronger binding of CO on multilayer PdO(101), as well as the observed binding site preferences, and reveal that the stronger binding is entirely responsible for the higher CO oxidation activity of multilayer PdO(101)/Pd(100). We show that the O atom below the Pdcussite, present only on multilayer PdO(101), modifies the electronic states of the Pdcusatom in a way that enhances the CO-Pdcusbonding. Lastly, we show that a precursor-mediated kinetic model, with energetics determined from the present study, predicts that the intrinsic CO oxidation rates achieved on both single-layer and multilayer PdO(101)/Pd(100) can be expected to exceed the gaseous CO diffusion rate to the surface during steady-state CO oxidation at elevated pressures, even though the intrinsic reaction rates are 4-5 orders of magnitude lower on single-layer PdO(101)/Pd(100) than on multilayer PdO(101)/Pd(100).
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Kim, MinkyuOhio State University
(author)
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Shipilin, MikhailLund University,Lunds universitet,Synkrotronljusfysik,Fysiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Synchrotron Radiation Research,Department of Physics,Departments at LTH,Faculty of Engineering, LTH(Swepub:lu)slju-msh
(author)
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van den Bossche, Maxime,1989Chalmers University of Technology(Swepub:cth)bossche
(author)
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Gustafson, JohanLund University,Lunds universitet,Synkrotronljusfysik,Fysiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Synchrotron Radiation Research,Department of Physics,Departments at LTH,Faculty of Engineering, LTH(Swepub:lu)slju-jgu
(author)
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Merte, Lindsay RichardMalmö universitet,Malmö University,Institutionen för materialvetenskap och tillämpad matematik (MTM)(Swepub:mau)ai6698
(author)
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Hejral, Uta,1984Lund University,Lunds universitet,Synkrotronljusfysik,Fysiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Synchrotron Radiation Research,Department of Physics,Departments at LTH,Faculty of Engineering, LTH(Swepub:lu)ut0513he
(author)
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Grönbeck, Henrik,1966Chalmers University of Technology(Swepub:cth)ghj
(author)
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Lundgren, EdvinLund University,Lunds universitet,NanoLund: Centre for Nanoscience,Annan verksamhet, LTH,Lunds Tekniska Högskola,Synkrotronljusfysik,Fysiska institutionen,Institutioner vid LTH,Other operations, LTH,Faculty of Engineering, LTH,Synchrotron Radiation Research,Department of Physics,Departments at LTH,Faculty of Engineering, LTH(Swepub:lu)slju-elu
(author)
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Asthagiri, A.Ohio State University
(author)
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Weaver, Jason F.University of Florida,Florida Museum Natural History
(author)
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University of FloridaFlorida Museum Natural History
(creator_code:org_t)
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In:ACS Catalysis: American Chemical Society (ACS)8:9, s. 8553-85672155-5435
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