Matches in SemOpenAlex for { <https://semopenalex.org/work/W2382509970> ?p ?o ?g. }
Showing items 1 to 69 of
69
with 100 items per page.
- W2382509970 abstract "The adsorption behaviors of difluorocarbene on Au-n(n=1-5) clusters and anionic,neutral,cationic Au3 clusters are systematically investigated by Density Functional Theory(DFT).The adsorption of CF2 on the Au-n(n=1-5) clusters manifests that the Au and C are in the same plane,has formed Au-C bond,and are chemical adsorption.The adsorption energy of the clusters are tend to decrease with the increasing of Au atom number.The adsorption effect becomes weaken due to the size of Au-clusters expanding.The adsorption energies in odd-numbered AunCF-2 clusters are relatively higher than that in adjacent even-numbered AunCF-2 clusters.This odd-even oscillation is observed in the variations of C-F bond-lengths,too.The gaps between LUMO and HOMO orbits of CF2Au-n clusters decrease with the Au atom n increasing.The adsorption is the first for the CF2:on Au-3,the second on the Au+3,for the last on Au3.The trend of the C-F bond lengths for CF2:adsorption on Au-3,Au+3,and Au3 is similar to that of the adsorption.The charge of Au clusters plays an important role in adsorption of CF2:on Au3 clusters,CF2:is activated on Au-3 and Au+3." @default.
- W2382509970 created "2016-06-24" @default.
- W2382509970 creator A5070816961 @default.
- W2382509970 date "2012-01-01" @default.
- W2382509970 modified "2023-09-22" @default.
- W2382509970 title "Density Functional Theory Study about Difluorocarbene Adsorption on Au Clusters" @default.
- W2382509970 hasPublicationYear "2012" @default.
- W2382509970 type Work @default.
- W2382509970 sameAs 2382509970 @default.
- W2382509970 citedByCount "0" @default.
- W2382509970 crossrefType "journal-article" @default.
- W2382509970 hasAuthorship W2382509970A5070816961 @default.
- W2382509970 hasConcept C115624301 @default.
- W2382509970 hasConcept C147597530 @default.
- W2382509970 hasConcept C147789679 @default.
- W2382509970 hasConcept C149635348 @default.
- W2382509970 hasConcept C150394285 @default.
- W2382509970 hasConcept C152365726 @default.
- W2382509970 hasConcept C155860418 @default.
- W2382509970 hasConcept C178790620 @default.
- W2382509970 hasConcept C183882617 @default.
- W2382509970 hasConcept C185592680 @default.
- W2382509970 hasConcept C192562407 @default.
- W2382509970 hasConcept C2777084352 @default.
- W2382509970 hasConcept C41008148 @default.
- W2382509970 hasConcept C58312451 @default.
- W2382509970 hasConcept C8010536 @default.
- W2382509970 hasConceptScore W2382509970C115624301 @default.
- W2382509970 hasConceptScore W2382509970C147597530 @default.
- W2382509970 hasConceptScore W2382509970C147789679 @default.
- W2382509970 hasConceptScore W2382509970C149635348 @default.
- W2382509970 hasConceptScore W2382509970C150394285 @default.
- W2382509970 hasConceptScore W2382509970C152365726 @default.
- W2382509970 hasConceptScore W2382509970C155860418 @default.
- W2382509970 hasConceptScore W2382509970C178790620 @default.
- W2382509970 hasConceptScore W2382509970C183882617 @default.
- W2382509970 hasConceptScore W2382509970C185592680 @default.
- W2382509970 hasConceptScore W2382509970C192562407 @default.
- W2382509970 hasConceptScore W2382509970C2777084352 @default.
- W2382509970 hasConceptScore W2382509970C41008148 @default.
- W2382509970 hasConceptScore W2382509970C58312451 @default.
- W2382509970 hasConceptScore W2382509970C8010536 @default.
- W2382509970 hasLocation W23825099701 @default.
- W2382509970 hasOpenAccess W2382509970 @default.
- W2382509970 hasPrimaryLocation W23825099701 @default.
- W2382509970 hasRelatedWork W1928822150 @default.
- W2382509970 hasRelatedWork W1967852160 @default.
- W2382509970 hasRelatedWork W1986487752 @default.
- W2382509970 hasRelatedWork W1988081472 @default.
- W2382509970 hasRelatedWork W1989910557 @default.
- W2382509970 hasRelatedWork W2002864282 @default.
- W2382509970 hasRelatedWork W2010659119 @default.
- W2382509970 hasRelatedWork W2018115424 @default.
- W2382509970 hasRelatedWork W2036546309 @default.
- W2382509970 hasRelatedWork W2053121262 @default.
- W2382509970 hasRelatedWork W2089366844 @default.
- W2382509970 hasRelatedWork W2333671582 @default.
- W2382509970 hasRelatedWork W2370073894 @default.
- W2382509970 hasRelatedWork W2391408245 @default.
- W2382509970 hasRelatedWork W2548244532 @default.
- W2382509970 hasRelatedWork W2805156324 @default.
- W2382509970 hasRelatedWork W3025094023 @default.
- W2382509970 hasRelatedWork W3178962146 @default.
- W2382509970 hasRelatedWork W3206900402 @default.
- W2382509970 hasRelatedWork W3149228140 @default.
- W2382509970 isParatext "false" @default.
- W2382509970 isRetracted "false" @default.
- W2382509970 magId "2382509970" @default.
- W2382509970 workType "article" @default.