Matches in SemOpenAlex for { <https://semopenalex.org/work/W2330783754> ?p ?o ?g. }
- W2330783754 abstract "Metal clusters adsorbed on graphene can give rise to interesting physical properties. Using density-functional theory calculations, we investigate Au${}_{n}$ and Fe${}_{n}$ ($n=1--5$) clusters adsorbed on perfect and defected graphene with a single vacancy. With the exception of Fe clusters on defected graphene, clusters are bonded to graphene through an anchor atom. Geometries of clusters on graphene are similar to their free-standing structures except for the Fe${}_{5}$ cluster on perfect graphene. Compared to Au, Fe clusters are more strongly bonded to graphene. We find that it is important to include long-range van der Waals interactions for Au clusters adsorbed on perfect graphene. An Au${}_{5}$ cluster becomes parallel to the graphene only when the van der Waals interactions are taken into account. Charge transfer between clusters and graphene shows strong size dependency, and the amount is larger in the presence of the single vacancy on the graphene than a pristine sheet. Perfect graphene is found to be doped for Au clusters with an odd number of atoms and undoped with an even number of atoms. Magnetic moments are also calculated as a function of cluster size and an odd-even oscillation is observed in Au${}_{n}$-perfect as well as defected graphene system. While Fe${}_{n}$ clusters remain to be magnetic for all $n$, the spin of a single Fe atom on a defect site is very small due to a covalent bonding to C atoms." @default.
- W2330783754 created "2016-06-24" @default.
- W2330783754 creator A5004441687 @default.
- W2330783754 creator A5004953221 @default.
- W2330783754 creator A5036176866 @default.
- W2330783754 creator A5074145871 @default.
- W2330783754 date "2012-04-26" @default.
- W2330783754 modified "2023-10-14" @default.
- W2330783754 title "Density functional study of gold and iron clusters on perfect and defected graphene" @default.
- W2330783754 cites W196092285 @default.
- W2330783754 cites W1966096736 @default.
- W2330783754 cites W1970127494 @default.
- W2330783754 cites W1979544533 @default.
- W2330783754 cites W1981368803 @default.
- W2330783754 cites W1981604256 @default.
- W2330783754 cites W1982840202 @default.
- W2330783754 cites W1984800150 @default.
- W2330783754 cites W1995622101 @default.
- W2330783754 cites W2000536749 @default.
- W2330783754 cites W2003193361 @default.
- W2330783754 cites W2007395042 @default.
- W2330783754 cites W2013417708 @default.
- W2330783754 cites W2015081015 @default.
- W2330783754 cites W2015762944 @default.
- W2330783754 cites W2020868140 @default.
- W2330783754 cites W2028384368 @default.
- W2330783754 cites W2028656844 @default.
- W2330783754 cites W2030489298 @default.
- W2330783754 cites W2031550403 @default.
- W2330783754 cites W2035930650 @default.
- W2330783754 cites W2036113194 @default.
- W2330783754 cites W2037407336 @default.
- W2330783754 cites W2041250178 @default.
- W2330783754 cites W2044591029 @default.
- W2330783754 cites W2045754774 @default.
- W2330783754 cites W2047524879 @default.
- W2330783754 cites W2047631588 @default.
- W2330783754 cites W2049299338 @default.
- W2330783754 cites W2050315976 @default.
- W2330783754 cites W2058122340 @default.
- W2330783754 cites W2062557635 @default.
- W2330783754 cites W2066120296 @default.
- W2330783754 cites W2075058901 @default.
- W2330783754 cites W2076757970 @default.
- W2330783754 cites W2077878554 @default.
- W2330783754 cites W2079105963 @default.
- W2330783754 cites W2081621848 @default.
- W2330783754 cites W2083642881 @default.
- W2330783754 cites W2087585288 @default.
- W2330783754 cites W2088321686 @default.
- W2330783754 cites W2090682002 @default.
- W2330783754 cites W2090857004 @default.
- W2330783754 cites W2096868202 @default.
- W2330783754 cites W2105685140 @default.
- W2330783754 cites W2115581621 @default.
- W2330783754 cites W2120145199 @default.
- W2330783754 cites W2158043072 @default.
- W2330783754 cites W2161928223 @default.
- W2330783754 cites W3037024729 @default.
- W2330783754 cites W3098090608 @default.
- W2330783754 cites W3105266520 @default.
- W2330783754 cites W3106073613 @default.
- W2330783754 doi "https://doi.org/10.1103/physrevb.85.165444" @default.
- W2330783754 hasPublicationYear "2012" @default.
- W2330783754 type Work @default.
- W2330783754 sameAs 2330783754 @default.
- W2330783754 citedByCount "50" @default.
- W2330783754 countsByYear W23307837542012 @default.
- W2330783754 countsByYear W23307837542013 @default.
- W2330783754 countsByYear W23307837542014 @default.
- W2330783754 countsByYear W23307837542015 @default.
- W2330783754 countsByYear W23307837542016 @default.
- W2330783754 countsByYear W23307837542017 @default.
- W2330783754 countsByYear W23307837542018 @default.
- W2330783754 countsByYear W23307837542019 @default.
- W2330783754 countsByYear W23307837542020 @default.
- W2330783754 countsByYear W23307837542021 @default.
- W2330783754 countsByYear W23307837542022 @default.
- W2330783754 countsByYear W23307837542023 @default.
- W2330783754 crossrefType "journal-article" @default.
- W2330783754 hasAuthorship W2330783754A5004441687 @default.
- W2330783754 hasAuthorship W2330783754A5004953221 @default.
- W2330783754 hasAuthorship W2330783754A5036176866 @default.
- W2330783754 hasAuthorship W2330783754A5074145871 @default.
- W2330783754 hasConcept C114221277 @default.
- W2330783754 hasConcept C121332964 @default.
- W2330783754 hasConcept C126061179 @default.
- W2330783754 hasConcept C147597530 @default.
- W2330783754 hasConcept C149635348 @default.
- W2330783754 hasConcept C152365726 @default.
- W2330783754 hasConcept C159467904 @default.
- W2330783754 hasConcept C164866538 @default.
- W2330783754 hasConcept C171250308 @default.
- W2330783754 hasConcept C185592680 @default.
- W2330783754 hasConcept C192562407 @default.
- W2330783754 hasConcept C199360897 @default.
- W2330783754 hasConcept C26873012 @default.
- W2330783754 hasConcept C30080830 @default.
- W2330783754 hasConcept C32909587 @default.
- W2330783754 hasConcept C41008148 @default.