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• W3036433535 endingPage "5823" @default.
• W3036433535 startingPage "5812" @default.
• W3036433535 abstract "The characteristics of small cerium oxide and gold–cerium oxide clusters were investigated as models for gold attachment to various defect sites on a ceria surface. Photoionization efficiency (PIE) spectra of gas phase Ce3On (n = 0–4) and AuCe3On (n = 0–3) clusters were recorded and compared to spectral simulations based on DFT calculations. Calculated structures and PIE spectra for the Ce3O5,6 and AuCe3O4–6 clusters are also presented; however, these species were not detected during photoionization experiments. Addition of an Au atom to Ce3 was found to increase the energy of the ionization onset by ∼0.4 eV, whereas addition of one or more oxygen atoms decreases the onset by ∼0.25 eV. The optimized AuCe3On (n = 0–4) cluster geometries correlate with Au atoms adsorbed to oxygen vacancy sites while the AuCe3O5 and AuCe3O6 clusters are consistent with Au adsorption to CeO3 and CeO2 vacancies, respectively. The interactions between the cerium oxide cluster surface and the adsorbed Au atom were found to strongly depend on the nature the of the adsorption site. Au adsorbed to O vacancies are negatively charged with a Ce → Au charge transfer, whereas Au adsorbed to CeO2 and CeO3 vacancies have a reversed Au → Ce charge transfer, resulting in a positively charged Au atom. Au adsorption to the Ce3On clusters has the effect of (i) reducing the differences in the HOMO energies of the AuCe3O4, AuCe3O5, and AuCe3O6 clusters and (ii) lowering the binding energy of oxygen atoms for all AuCe3On (n = 1–6) clusters. Au adsorption appears to have a minimal effect on CeO2 vacancy formation, although CeO2 vacancies were calculated to form more readily than O vacancies on both the Ce3On and AuCe3On clusters. The low energy fragmentation calculated for the Ce3O5,6 and AuCe3O4–6 clusters, via loss of either Au, O, or CeO2, could potentially make photoionization experiments unfeasible since these clusters may simply dissociate when exposed to high energy photons above the ionization threshold." @default.
• W3036433535 created "2020-06-25" @default.
• W3036433535 creator A5022281682 @default.
• W3036433535 creator A5040379843 @default.
• W3036433535 creator A5083916029 @default.
• W3036433535 date "2020-06-22" @default.
• W3036433535 modified "2023-09-30" @default.
• W3036433535 title "Using Photoionization Efficiency Spectroscopy and Density Functional Theory to Investigate Charge Transfer Interactions in AuCe₃O_<i>n</i> Clusters" @default.
• W3036433535 cites W1627370895 @default.
• W3036433535 cites W1965173894 @default.
• W3036433535 cites W1967433334 @default.
• W3036433535 cites W1967566659 @default.
• W3036433535 cites W1970042625 @default.
• W3036433535 cites W1971572876 @default.
• W3036433535 cites W1972880993 @default.
• W3036433535 cites W1974307334 @default.
• W3036433535 cites W1974601195 @default.
• W3036433535 cites W1975446894 @default.
• W3036433535 cites W1976129538 @default.
• W3036433535 cites W1976626279 @default.
• W3036433535 cites W1978431202 @default.
• W3036433535 cites W1979945615 @default.
• W3036433535 cites W1982356449 @default.
• W3036433535 cites W1985721198 @default.
• W3036433535 cites W1990503082 @default.
• W3036433535 cites W1990718250 @default.
• W3036433535 cites W1991879550 @default.
• W3036433535 cites W1991925231 @default.
• W3036433535 cites W1992277893 @default.
• W3036433535 cites W1992905693 @default.
• W3036433535 cites W1998751047 @default.
• W3036433535 cites W2001338711 @default.
• W3036433535 cites W2004686088 @default.
• W3036433535 cites W2006493442 @default.
• W3036433535 cites W2011404653 @default.
• W3036433535 cites W2012977071 @default.
• W3036433535 cites W2013280577 @default.
• W3036433535 cites W2016672612 @default.
• W3036433535 cites W2016795805 @default.
• W3036433535 cites W2020018947 @default.
• W3036433535 cites W2021323648 @default.
• W3036433535 cites W2022816859 @default.
• W3036433535 cites W2023104096 @default.
• W3036433535 cites W2023449803 @default.
• W3036433535 cites W2023665730 @default.
• W3036433535 cites W2024671200 @default.
• W3036433535 cites W2025340179 @default.
• W3036433535 cites W2030687437 @default.
• W3036433535 cites W2031883693 @default.
• W3036433535 cites W2032181748 @default.
• W3036433535 cites W2035522466 @default.
• W3036433535 cites W2037542805 @default.
• W3036433535 cites W2037765697 @default.
• W3036433535 cites W2038602396 @default.
• W3036433535 cites W2040846528 @default.
• W3036433535 cites W2042924683 @default.
• W3036433535 cites W2045858767 @default.
• W3036433535 cites W2048433095 @default.
• W3036433535 cites W2051339473 @default.
• W3036433535 cites W2051550265 @default.
• W3036433535 cites W2060857217 @default.
• W3036433535 cites W2061115982 @default.
• W3036433535 cites W2062278723 @default.
• W3036433535 cites W2064452274 @default.
• W3036433535 cites W2065294064 @default.
• W3036433535 cites W2066148764 @default.
• W3036433535 cites W2066532108 @default.
• W3036433535 cites W2068259753 @default.
• W3036433535 cites W2068691048 @default.
• W3036433535 cites W2069006374 @default.
• W3036433535 cites W2070247802 @default.
• W3036433535 cites W2081966896 @default.
• W3036433535 cites W2091056512 @default.
• W3036433535 cites W2100711723 @default.
• W3036433535 cites W2101766537 @default.
• W3036433535 cites W2103943038 @default.
• W3036433535 cites W2106662992 @default.
• W3036433535 cites W2115220647 @default.
• W3036433535 cites W2116843505 @default.
• W3036433535 cites W2127659603 @default.
• W3036433535 cites W2129665392 @default.
• W3036433535 cites W2130172222 @default.
• W3036433535 cites W2133955869 @default.
• W3036433535 cites W2139093450 @default.
• W3036433535 cites W2173834855 @default.
• W3036433535 cites W2313442742 @default.
• W3036433535 cites W2318182558 @default.
• W3036433535 cites W2318991618 @default.
• W3036433535 cites W2320942488 @default.
• W3036433535 cites W2323791469 @default.
• W3036433535 cites W2331794455 @default.
• W3036433535 cites W2332570623 @default.
• W3036433535 cites W2346082554 @default.
• W3036433535 cites W2380548727 @default.
• W3036433535 cites W2503920468 @default.
• W3036433535 cites W2520140124 @default.
• W3036433535 cites W2534824154 @default.
• W3036433535 cites W260166482 @default.

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