Matches in SemOpenAlex for { <https://semopenalex.org/work/W2969578766> ?p ?o ?g. }
- W2969578766 endingPage "143661" @default.
- W2969578766 startingPage "143661" @default.
- W2969578766 abstract "Abstract Selective oxidation of glycerol over Pt-based supported catalysts has been widely investigated for synthesis of value-added carboxylic acids. Herein, the oxidation mechanism of glycerol to carboxylic acids on Pt (111) facet using molecular oxygen as oxidant in base-free liquid phase conditions was systematically studied by density functional theory (DFT) calculation. It is found that there is a co-dissociation reaction of oxygen and water to form adsorbed hydroxyl and oxygen atom, resulting in the formation of three active sites (Pt*, Pt-O* and Pt-OH*) to participate in oxidation reactions. The oxidation of glycerol involves four key steps: dehydrogenation of OH group, dehydrogenation of C H group, aldehydes oxidation and cleavage of C C bond. Calculation result reveals that the key to enhance the catalytic activity of glycerol oxidation to carboxylic acids (mainly glyceric acid and tartronic acid) is to polarize the surface of Pt with the formation of Pt-OH* or other active sites. Furthermore, the improvement of carboxylic acid selectivity depends on the incorporation of a second active site to Pt in order to prevent the C C bond cleavage of the thermodynamically stable intermediate of glyceric acid." @default.
- W2969578766 created "2019-08-29" @default.
- W2969578766 creator A5010949964 @default.
- W2969578766 creator A5013387778 @default.
- W2969578766 creator A5033936311 @default.
- W2969578766 creator A5048880756 @default.
- W2969578766 creator A5066936408 @default.
- W2969578766 creator A5069344541 @default.
- W2969578766 creator A5082727079 @default.
- W2969578766 date "2019-12-01" @default.
- W2969578766 modified "2023-09-23" @default.
- W2969578766 title "Selective oxidation of glycerol to carboxylic acids on Pt(111) in base-free medium: A periodic density functional theory investigation" @default.
- W2969578766 cites W1185935476 @default.
- W2969578766 cites W1964015474 @default.
- W2969578766 cites W1967509825 @default.
- W2969578766 cites W1969323638 @default.
- W2969578766 cites W1975698418 @default.
- W2969578766 cites W1976784016 @default.
- W2969578766 cites W1977344457 @default.
- W2969578766 cites W1977829043 @default.
- W2969578766 cites W1978152201 @default.
- W2969578766 cites W1978381577 @default.
- W2969578766 cites W1984925901 @default.
- W2969578766 cites W1987171708 @default.
- W2969578766 cites W1999237594 @default.
- W2969578766 cites W2005799339 @default.
- W2969578766 cites W2013061653 @default.
- W2969578766 cites W2019684550 @default.
- W2969578766 cites W2035034028 @default.
- W2969578766 cites W2036113194 @default.
- W2969578766 cites W2043390274 @default.
- W2969578766 cites W2045282826 @default.
- W2969578766 cites W2048686799 @default.
- W2969578766 cites W2048732250 @default.
- W2969578766 cites W2062424819 @default.
- W2969578766 cites W2063237858 @default.
- W2969578766 cites W2064162931 @default.
- W2969578766 cites W2078336972 @default.
- W2969578766 cites W2089058581 @default.
- W2969578766 cites W2090199421 @default.
- W2969578766 cites W2117146968 @default.
- W2969578766 cites W2121511591 @default.
- W2969578766 cites W2125209685 @default.
- W2969578766 cites W2131823257 @default.
- W2969578766 cites W2133559515 @default.
- W2969578766 cites W2143244577 @default.
- W2969578766 cites W2161703713 @default.
- W2969578766 cites W2171599642 @default.
- W2969578766 cites W2178975765 @default.
- W2969578766 cites W2192960363 @default.
- W2969578766 cites W2289012913 @default.
- W2969578766 cites W2312412478 @default.
- W2969578766 cites W2312714920 @default.
- W2969578766 cites W2316391337 @default.
- W2969578766 cites W2316506526 @default.
- W2969578766 cites W2318730345 @default.
- W2969578766 cites W2320567644 @default.
- W2969578766 cites W2324084496 @default.
- W2969578766 cites W2326488244 @default.
- W2969578766 cites W2327596439 @default.
- W2969578766 cites W2328609802 @default.
- W2969578766 cites W2330027115 @default.
- W2969578766 cites W2335539954 @default.
- W2969578766 cites W2416781242 @default.
- W2969578766 cites W2470215942 @default.
- W2969578766 cites W2475862128 @default.
- W2969578766 cites W2517239157 @default.
- W2969578766 cites W2559852576 @default.
- W2969578766 cites W2605863001 @default.
- W2969578766 cites W2612979314 @default.
- W2969578766 cites W2744322386 @default.
- W2969578766 cites W2802449793 @default.
- W2969578766 cites W2900035893 @default.
- W2969578766 cites W2912210268 @default.
- W2969578766 cites W2937066948 @default.
- W2969578766 cites W2965134392 @default.
- W2969578766 doi "https://doi.org/10.1016/j.apsusc.2019.143661" @default.
- W2969578766 hasPublicationYear "2019" @default.
- W2969578766 type Work @default.
- W2969578766 sameAs 2969578766 @default.
- W2969578766 citedByCount "27" @default.
- W2969578766 countsByYear W29695787662020 @default.
- W2969578766 countsByYear W29695787662021 @default.
- W2969578766 countsByYear W29695787662022 @default.
- W2969578766 countsByYear W29695787662023 @default.
- W2969578766 crossrefType "journal-article" @default.
- W2969578766 hasAuthorship W2969578766A5010949964 @default.
- W2969578766 hasAuthorship W2969578766A5013387778 @default.
- W2969578766 hasAuthorship W2969578766A5033936311 @default.
- W2969578766 hasAuthorship W2969578766A5048880756 @default.
- W2969578766 hasAuthorship W2969578766A5066936408 @default.
- W2969578766 hasAuthorship W2969578766A5069344541 @default.
- W2969578766 hasAuthorship W2969578766A5082727079 @default.
- W2969578766 hasConcept C134306372 @default.
- W2969578766 hasConcept C147597530 @default.
- W2969578766 hasConcept C152365726 @default.
- W2969578766 hasConcept C178790620 @default.
- W2969578766 hasConcept C185592680 @default.