WFRF:(Kim Minkyu)
Sökning: WFRF:(Kim Minkyu) > (2015-2019) > Understanding the I...
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| Fältnamn | Indikatorer | Metadata |
|---|---|---|
| 000 | 06749naa a2200829 4500 | |
| 001 | oai:research.chalmers.se:8e641aff-61b0-49bf-a676-59d9cbfe57e7 | |
| 003 | SwePub | |
| 008 | 180920s2018 | |||||||||||000 ||eng| | |
| 009 | oai:lup.lub.lu.se:9b394eb1-4a73-4f61-8b41-d2311201e8c7 | |
| 009 | oai:DiVA.org:mau-2351 | |
| 024 | 7 | a https://research.chalmers.se/publication/5050172 URI |
| 024 | 7 | a https://research.chalmers.se/publication/5063862 URI |
| 024 | 7 | a https://doi.org/10.1021/acscatal.8b021912 DOI |
| 024 | 7 | a https://research.chalmers.se/publication/5055762 URI |
| 024 | 7 | a https://lup.lub.lu.se/record/9b394eb1-4a73-4f61-8b41-d2311201e8c72 URI |
| 024 | 7 | a https://urn.kb.se/resolve?urn=urn:nbn:se:mau:diva-23512 URI |
| 040 | a (SwePub)cthd (SwePub)lud (SwePub)mau | |
| 041 | a engb eng | |
| 042 | 9 SwePub | |
| 072 | 7 | a art2 swepub-publicationtype |
| 072 | 7 | a ref2 swepub-contenttype |
| 100 | 1 | a Mehar, Vikramu University of Florida,Florida Museum Natural History4 aut |
| 245 | 1 0 | a Understanding the Intrinsic Surface Reactivity of Single-Layer and Multilayer PdO(101) on Pd(100) |
| 264 | c 2018-08-03 | |
| 264 | 1 | b American Chemical Society (ACS),c 2018 |
| 520 | a 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). | |
| 650 | 7 | a NATURVETENSKAPx Kemix Oorganisk kemi0 (SwePub)104042 hsv//swe |
| 650 | 7 | a NATURAL SCIENCESx Chemical Sciencesx Inorganic Chemistry0 (SwePub)104042 hsv//eng |
| 650 | 7 | a NATURVETENSKAPx Kemix Teoretisk kemi0 (SwePub)104072 hsv//swe |
| 650 | 7 | a NATURAL SCIENCESx Chemical Sciencesx Theoretical Chemistry0 (SwePub)104072 hsv//eng |
| 650 | 7 | a NATURVETENSKAPx Fysikx Den kondenserade materiens fysik0 (SwePub)103042 hsv//swe |
| 650 | 7 | a NATURAL SCIENCESx Physical Sciencesx Condensed Matter Physics0 (SwePub)103042 hsv//eng |
| 650 | 7 | a NATURVETENSKAPx Kemix Fysikalisk kemi0 (SwePub)104022 hsv//swe |
| 650 | 7 | a NATURAL SCIENCESx Chemical Sciencesx Physical Chemistry0 (SwePub)104022 hsv//eng |
| 650 | 7 | a TEKNIK OCH TEKNOLOGIERx Materialteknik0 (SwePub)2052 hsv//swe |
| 650 | 7 | a ENGINEERING AND TECHNOLOGYx Materials Engineering0 (SwePub)2052 hsv//eng |
| 653 | a CO oxidation | |
| 653 | a RAIRS | |
| 653 | a surface oxide | |
| 653 | a infrared spectroscopy | |
| 653 | a Pd(100) | |
| 653 | a DFT | |
| 653 | a PdO | |
| 653 | a palladium | |
| 653 | a CO oxidation | |
| 653 | a DFT | |
| 653 | a infrared spectroscopy | |
| 653 | a palladium | |
| 653 | a Pd(100) | |
| 653 | a PdO | |
| 653 | a RAIRS | |
| 653 | a surface oxide | |
| 700 | 1 | a Kim, Minkyuu Ohio State University4 aut |
| 700 | 1 | a Shipilin, Mikhailu Lund University,Lunds universitet,Synkrotronljusfysik,Fysiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Synchrotron Radiation Research,Department of Physics,Departments at LTH,Faculty of Engineering, LTH4 aut0 (Swepub:lu)slju-msh |
| 700 | 1 | a van den Bossche, Maxime,d 1989u Chalmers University of Technology4 aut0 (Swepub:cth)bossche |
| 700 | 1 | a Gustafson, Johanu Lund University,Lunds universitet,Synkrotronljusfysik,Fysiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Synchrotron Radiation Research,Department of Physics,Departments at LTH,Faculty of Engineering, LTH4 aut0 (Swepub:lu)slju-jgu |
| 700 | 1 | a Merte, Lindsay Richardu Malmö universitet,Malmö University,Institutionen för materialvetenskap och tillämpad matematik (MTM)4 aut0 (Swepub:mau)ai6698 |
| 700 | 1 | a Hejral, Uta,d 1984u Lund University,Lunds universitet,Synkrotronljusfysik,Fysiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Synchrotron Radiation Research,Department of Physics,Departments at LTH,Faculty of Engineering, LTH4 aut0 (Swepub:lu)ut0513he |
| 700 | 1 | a Grönbeck, Henrik,d 1966u Chalmers University of Technology4 aut0 (Swepub:cth)ghj |
| 700 | 1 | a Lundgren, Edvinu Lund 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, LTH4 aut0 (Swepub:lu)slju-elu |
| 700 | 1 | a Asthagiri, A.u Ohio State University4 aut |
| 700 | 1 | a Weaver, Jason F.u University of Florida,Florida Museum Natural History4 aut |
| 710 | 2 | a University of Floridab Florida Museum Natural History4 org |
| 773 | 0 | t ACS Catalysisd : American Chemical Society (ACS)g 8:9, s. 8553-8567q 8:9<8553-8567x 2155-5435 |
| 856 | 4 | u https://www.osti.gov/biblio/1593965 |
| 856 | 4 | u http://dx.doi.org/10.1021/acscatal.8b02191y FULLTEXT |
| 856 | 4 8 | u https://research.chalmers.se/publication/505017 |
| 856 | 4 8 | u https://research.chalmers.se/publication/506386 |
| 856 | 4 8 | u https://doi.org/10.1021/acscatal.8b02191 |
| 856 | 4 8 | u https://research.chalmers.se/publication/505576 |
| 856 | 4 8 | u https://lup.lub.lu.se/record/9b394eb1-4a73-4f61-8b41-d2311201e8c7 |
| 856 | 4 8 | u https://urn.kb.se/resolve?urn=urn:nbn:se:mau:diva-2351 |
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