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- W2089492058 abstract "Synchrotron-based high-resolution photoemission, x-ray absorption near-edge spectroscopy, and first-principles density-functional calculations are used to examine the interaction of SO2 with pure and modified surfaces of magnesium oxide. On a MgO(100) single crystal, SO2 reacts with O centers to form SO3 and SO4 species. The bonding interactions with the Mg cations are weak and do not lead to cleavage of S–O bonds. An identical result is found after adsorbing SO2 on pure stoichiometric powders of MgO and other oxides (TiO2, Cr2O3, Fe2O3, NiO, CuO, ZnO, V2O5, CeO2, BaO). In these systems, the occupied cations bands are too stable for effective bonding interactions with the LUMO of SO2. To activate an oxide for S–O bond cleavage, one has to create occupied metal states above the valence band of the oxide. DF calculations predict that in the presence of these “extra” electronic states the adsorption energy of SO2 should increase, and there should be a significant oxide→SO2(LUMO) charge transfer that facilitates the cleavage of the S–O bonds. In this article, we explore three different approaches (formation of O vacancies, promotion with alkali metals, and doping with transition metals) that lead to the activation of SO2 and S–O bond breaking on MgO and oxides in general. Basic principles for a rational design of catalysts with a high efficiency for the destruction of SO2 are presented." @default.
- W2089492058 created "2016-06-24" @default.
- W2089492058 creator A5005444342 @default.
- W2089492058 creator A5013018780 @default.
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- W2089492058 creator A5030123751 @default.
- W2089492058 creator A5038550012 @default.
- W2089492058 creator A5084122020 @default.
- W2089492058 date "2001-12-15" @default.
- W2089492058 modified "2023-10-18" @default.
- W2089492058 title "Reaction of SO2 with pure and metal-doped MgO: Basic principles for the cleavage of S–O bonds" @default.
- W2089492058 cites W1647771560 @default.
- W2089492058 cites W1648965953 @default.
- W2089492058 cites W19009734 @default.
- W2089492058 cites W1966750682 @default.
- W2089492058 cites W1966869820 @default.
- W2089492058 cites W1970120004 @default.
- W2089492058 cites W1970223692 @default.
- W2089492058 cites W1972381781 @default.
- W2089492058 cites W1974500622 @default.
- W2089492058 cites W1978147739 @default.
- W2089492058 cites W1980181002 @default.
- W2089492058 cites W1983189540 @default.
- W2089492058 cites W1985152332 @default.
- W2089492058 cites W1985888876 @default.
- W2089492058 cites W1989000064 @default.
- W2089492058 cites W1991259022 @default.
- W2089492058 cites W1994296611 @default.
- W2089492058 cites W1994778892 @default.
- W2089492058 cites W1997686490 @default.
- W2089492058 cites W1999863741 @default.
- W2089492058 cites W2002459210 @default.
- W2089492058 cites W2002701788 @default.
- W2089492058 cites W2004225979 @default.
- W2089492058 cites W2006369016 @default.
- W2089492058 cites W2006650175 @default.
- W2089492058 cites W2007784367 @default.
- W2089492058 cites W2010291246 @default.
- W2089492058 cites W2011210671 @default.
- W2089492058 cites W2012026772 @default.
- W2089492058 cites W2012544970 @default.
- W2089492058 cites W2013610710 @default.
- W2089492058 cites W2014392857 @default.
- W2089492058 cites W2016131447 @default.
- W2089492058 cites W2019682245 @default.
- W2089492058 cites W2019771535 @default.
- W2089492058 cites W2020626817 @default.
- W2089492058 cites W2022611029 @default.
- W2089492058 cites W2023791215 @default.
- W2089492058 cites W2024853665 @default.
- W2089492058 cites W2027406213 @default.
- W2089492058 cites W2028360019 @default.
- W2089492058 cites W2028874661 @default.
- W2089492058 cites W2036113194 @default.
- W2089492058 cites W2036309219 @default.
- W2089492058 cites W2037937350 @default.
- W2089492058 cites W2038123073 @default.
- W2089492058 cites W2038667062 @default.
- W2089492058 cites W2038965768 @default.
- W2089492058 cites W2039273974 @default.
- W2089492058 cites W2039586353 @default.
- W2089492058 cites W2039858068 @default.
- W2089492058 cites W2046593205 @default.
- W2089492058 cites W2051072343 @default.
- W2089492058 cites W2051325544 @default.
- W2089492058 cites W2053634883 @default.
- W2089492058 cites W2056254594 @default.
- W2089492058 cites W2056334241 @default.
- W2089492058 cites W2065812463 @default.
- W2089492058 cites W2068602595 @default.
- W2089492058 cites W2072128348 @default.
- W2089492058 cites W2073079428 @default.
- W2089492058 cites W2080150493 @default.
- W2089492058 cites W2081356964 @default.
- W2089492058 cites W2081981584 @default.
- W2089492058 cites W2082403246 @default.
- W2089492058 cites W2086436822 @default.
- W2089492058 cites W2087585288 @default.
- W2089492058 cites W2089732119 @default.
- W2089492058 cites W2089894074 @default.
- W2089492058 cites W2091046126 @default.
- W2089492058 cites W2091433363 @default.
- W2089492058 cites W2092305617 @default.
- W2089492058 cites W2098355486 @default.
- W2089492058 cites W2098432400 @default.
- W2089492058 cites W2101604632 @default.
- W2089492058 cites W2134530640 @default.
- W2089492058 cites W2145608286 @default.
- W2089492058 cites W2321449487 @default.
- W2089492058 cites W2325211549 @default.
- W2089492058 cites W2951672535 @default.
- W2089492058 cites W305092628 @default.
- W2089492058 cites W311115143 @default.
- W2089492058 cites W3131227718 @default.
- W2089492058 cites W328873107 @default.
- W2089492058 doi "https://doi.org/10.1063/1.1416683" @default.
- W2089492058 hasPublicationYear "2001" @default.
- W2089492058 type Work @default.