FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3198441388> ?p ?o ?g. }

• W3198441388 endingPage "29195" @default.
• W3198441388 startingPage "29186" @default.
• W3198441388 abstract "The catalytic activity of metal clusters can be easily tuned by their size, charge state, or the introduction of dopant atoms. Here, the dopant-, charge- and size-dependent propene adsorption on gold (Au n+) and yttrium doped gold (Au n-1Y+) clusters (n = 4-20) was investigated using combined gas-phase reaction studies and density functional theory computations. The increased charge transfer between the cluster and propene in the cationic clusters considerably enhances the propene binding on both pure and yttrium-doped species, compared to their neutral cluster counterparts, while yttrium-doping lowers the propene binding strength in a size-dependent way compared to the pure gold clusters. Chemical bonding and energy decomposition analysis indicate that there is no covalent bond between the cluster and propene. The preferred propene binding site on a cluster is indicated by the large lobes of its LUMO, together with the low coordination number of the adsorption site. In small yttrium-doped gold clusters propene can not only bind to the electron-deficient yttrium atom, but also to the partially positively-charged gold atoms. Therefore, by controlling the charge of the clusters, as well as by introducing yttrium dopants, the propene binding strength can be tuned, opening the route for new catalytic applications." @default.
• W3198441388 created "2021-09-13" @default.
• W3198441388 creator A5020755269 @default.
• W3198441388 creator A5032595777 @default.
• W3198441388 creator A5046366464 @default.
• W3198441388 creator A5062117984 @default.
• W3198441388 creator A5077040567 @default.
• W3198441388 creator A5085709419 @default.
• W3198441388 date "2021-01-01" @default.
• W3198441388 modified "2023-09-24" @default.
• W3198441388 title "The effect of size, charge state and composition on the binding of propene to yttrium-doped gold clusters" @default.
• W3198441388 cites W1584114617 @default.
• W3198441388 cites W1584242904 @default.
• W3198441388 cites W1835984247 @default.
• W3198441388 cites W1966182479 @default.
• W3198441388 cites W1966235871 @default.
• W3198441388 cites W1966587798 @default.
• W3198441388 cites W1972542360 @default.
• W3198441388 cites W1973865231 @default.
• W3198441388 cites W1978434250 @default.
• W3198441388 cites W1982539988 @default.
• W3198441388 cites W1987485238 @default.
• W3198441388 cites W1988091937 @default.
• W3198441388 cites W1990285475 @default.
• W3198441388 cites W1999743000 @default.
• W3198441388 cites W2002551987 @default.
• W3198441388 cites W2004368424 @default.
• W3198441388 cites W2005674903 @default.
• W3198441388 cites W2006102096 @default.
• W3198441388 cites W2019438068 @default.
• W3198441388 cites W2021631021 @default.
• W3198441388 cites W2022869928 @default.
• W3198441388 cites W2026172453 @default.
• W3198441388 cites W2028117546 @default.
• W3198441388 cites W2030687437 @default.
• W3198441388 cites W2042796027 @default.
• W3198441388 cites W2044490585 @default.
• W3198441388 cites W2046795439 @default.
• W3198441388 cites W2048255466 @default.
• W3198441388 cites W2051067248 @default.
• W3198441388 cites W2062319532 @default.
• W3198441388 cites W2062852634 @default.
• W3198441388 cites W2065586875 @default.
• W3198441388 cites W2070247802 @default.
• W3198441388 cites W2079101324 @default.
• W3198441388 cites W2079935930 @default.
• W3198441388 cites W2080087697 @default.
• W3198441388 cites W2085832465 @default.
• W3198441388 cites W2085966856 @default.
• W3198441388 cites W2086957099 @default.
• W3198441388 cites W2088178603 @default.
• W3198441388 cites W2089889844 @default.
• W3198441388 cites W2091642388 @default.
• W3198441388 cites W2092930273 @default.
• W3198441388 cites W2099730227 @default.
• W3198441388 cites W2103637068 @default.
• W3198441388 cites W2104492867 @default.
• W3198441388 cites W2132525235 @default.
• W3198441388 cites W2148941593 @default.
• W3198441388 cites W2150152993 @default.
• W3198441388 cites W2153674213 @default.
• W3198441388 cites W2159556073 @default.
• W3198441388 cites W2171962082 @default.
• W3198441388 cites W2302371264 @default.
• W3198441388 cites W2417057740 @default.
• W3198441388 cites W2489464993 @default.
• W3198441388 cites W2497145531 @default.
• W3198441388 cites W2557838702 @default.
• W3198441388 cites W2582436289 @default.
• W3198441388 cites W2752912843 @default.
• W3198441388 cites W2789909707 @default.
• W3198441388 cites W2802791016 @default.
• W3198441388 cites W2804206109 @default.
• W3198441388 cites W2886266435 @default.
• W3198441388 cites W2902374582 @default.
• W3198441388 cites W2908779306 @default.
• W3198441388 cites W2988109821 @default.
• W3198441388 cites W3008495456 @default.
• W3198441388 cites W3020824282 @default.
• W3198441388 cites W3096230297 @default.
• W3198441388 cites W3098169548 @default.
• W3198441388 cites W3105240652 @default.
• W3198441388 doi "https://doi.org/10.1039/d1ra03262c" @default.
• W3198441388 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/35492069" @default.
• W3198441388 hasPublicationYear "2021" @default.
• W3198441388 type Work @default.
• W3198441388 sameAs 3198441388 @default.
• W3198441388 citedByCount "4" @default.
• W3198441388 countsByYear W31984413882021 @default.
• W3198441388 countsByYear W31984413882022 @default.
• W3198441388 countsByYear W31984413882023 @default.
• W3198441388 crossrefType "journal-article" @default.
• W3198441388 hasAuthorship W3198441388A5020755269 @default.
• W3198441388 hasAuthorship W3198441388A5032595777 @default.
• W3198441388 hasAuthorship W3198441388A5046366464 @default.
• W3198441388 hasAuthorship W3198441388A5062117984 @default.
• W3198441388 hasAuthorship W3198441388A5077040567 @default.
• W3198441388 hasAuthorship W3198441388A5085709419 @default.

• next