Matches in SemOpenAlex for { <https://semopenalex.org/work/W2024447192> ?p ?o ?g. }
- W2024447192 endingPage "110" @default.
- W2024447192 startingPage "99" @default.
- W2024447192 abstract "An atomic picture of highly dispersed palladium and platinum catalysts supported on gamma-alumina is provided. Understanding the structure–reactivity relationship in the field of catalysis by metals requires the rationalization of the role of the metal-support interaction on the morphology and electronic properties of nanometer size metallic particles. Thus, the interaction energies and the structures of Pd13 and Pt13 clusters deposited on two relevant gamma-alumina surfaces are systematically investigated by density functional theory calculations. The hydroxylation of the support weakens the metal adhesion and influences the cluster morphologies. Flat lying bi-planar clusters with strong interaction energies are stabilized on the dehydrated (1 0 0) surface, whereas clusters with a three-dimensional morphology are favored by the hydroxyl groups of the (1 1 0) surface. A consistent comparison of Pt and Pd is achieved. The shortest metal–oxygen (M–O) bond distances calculated by DFT agree well with EXAFS M–O distances. Moreover, the presence of metal–aluminum bond distances close to 2.61–2.64 Å may explain experimental features. The present work also provides structural and electronic clues for the understanding of the reactivity of highly dispersed Pd and Pt catalysts." @default.
- W2024447192 created "2016-06-24" @default.
- W2024447192 creator A5008018826 @default.
- W2024447192 creator A5012535662 @default.
- W2024447192 creator A5014892353 @default.
- W2024447192 creator A5025258970 @default.
- W2024447192 creator A5025383238 @default.
- W2024447192 creator A5039310190 @default.
- W2024447192 creator A5061063610 @default.
- W2024447192 date "2010-08-19" @default.
- W2024447192 modified "2023-10-17" @default.
- W2024447192 title "Modulation of catalyst particle structure upon support hydroxylation: Ab initio insights into Pd13 and Pt13/γ-Al2O3" @default.
- W2024447192 cites W106889752 @default.
- W2024447192 cites W132118041 @default.
- W2024447192 cites W1504362703 @default.
- W2024447192 cites W1545602332 @default.
- W2024447192 cites W1650728208 @default.
- W2024447192 cites W1966458310 @default.
- W2024447192 cites W1967600003 @default.
- W2024447192 cites W1970127494 @default.
- W2024447192 cites W1973757129 @default.
- W2024447192 cites W1975484967 @default.
- W2024447192 cites W1977589401 @default.
- W2024447192 cites W1979544533 @default.
- W2024447192 cites W1981792803 @default.
- W2024447192 cites W1982567028 @default.
- W2024447192 cites W1983120501 @default.
- W2024447192 cites W1984003233 @default.
- W2024447192 cites W1986907114 @default.
- W2024447192 cites W1989551873 @default.
- W2024447192 cites W1993998340 @default.
- W2024447192 cites W1996783220 @default.
- W2024447192 cites W1996882903 @default.
- W2024447192 cites W1997996626 @default.
- W2024447192 cites W2001770475 @default.
- W2024447192 cites W2003464059 @default.
- W2024447192 cites W2003661407 @default.
- W2024447192 cites W2003780107 @default.
- W2024447192 cites W2005838069 @default.
- W2024447192 cites W2007708271 @default.
- W2024447192 cites W2012902514 @default.
- W2024447192 cites W2015907710 @default.
- W2024447192 cites W2022085321 @default.
- W2024447192 cites W2023101174 @default.
- W2024447192 cites W2024908230 @default.
- W2024447192 cites W2026975368 @default.
- W2024447192 cites W2027773583 @default.
- W2024447192 cites W2028586947 @default.
- W2024447192 cites W2029003223 @default.
- W2024447192 cites W2031667971 @default.
- W2024447192 cites W2033803368 @default.
- W2024447192 cites W2035377915 @default.
- W2024447192 cites W2035405992 @default.
- W2024447192 cites W2035548551 @default.
- W2024447192 cites W2038533471 @default.
- W2024447192 cites W2038583777 @default.
- W2024447192 cites W2039991520 @default.
- W2024447192 cites W2040457931 @default.
- W2024447192 cites W2049079467 @default.
- W2024447192 cites W2054591468 @default.
- W2024447192 cites W2055397871 @default.
- W2024447192 cites W2055979103 @default.
- W2024447192 cites W2057164183 @default.
- W2024447192 cites W2064413263 @default.
- W2024447192 cites W2064929414 @default.
- W2024447192 cites W2065896412 @default.
- W2024447192 cites W2066679256 @default.
- W2024447192 cites W2066849629 @default.
- W2024447192 cites W2067666762 @default.
- W2024447192 cites W2068667141 @default.
- W2024447192 cites W2069395171 @default.
- W2024447192 cites W2070247802 @default.
- W2024447192 cites W2070668052 @default.
- W2024447192 cites W2074451812 @default.
- W2024447192 cites W2076859596 @default.
- W2024447192 cites W2079157603 @default.
- W2024447192 cites W2079258596 @default.
- W2024447192 cites W2080044120 @default.
- W2024447192 cites W2082319765 @default.
- W2024447192 cites W2082785275 @default.
- W2024447192 cites W2083222334 @default.
- W2024447192 cites W2085884809 @default.
- W2024447192 cites W2086660400 @default.
- W2024447192 cites W2087698390 @default.
- W2024447192 cites W2087872658 @default.
- W2024447192 cites W2088104975 @default.
- W2024447192 cites W2088428759 @default.
- W2024447192 cites W2088601976 @default.
- W2024447192 cites W2089638549 @default.
- W2024447192 cites W2090322859 @default.
- W2024447192 cites W2112070656 @default.
- W2024447192 cites W2114660899 @default.
- W2024447192 cites W2115004004 @default.
- W2024447192 cites W2119607070 @default.
- W2024447192 cites W2121256235 @default.
- W2024447192 cites W2121380269 @default.
- W2024447192 cites W2128920097 @default.
- W2024447192 cites W2144741099 @default.