Matches in SemOpenAlex for { <https://semopenalex.org/work/W2091773936> ?p ?o ?g. }
- W2091773936 abstract "Employing first-principles methods, based on density functional theory, we report the ground state geometric and electronic structures of gold clusters doped with platinum group atoms, AuNM (N=1–7, M=Ni, Pd, Pt). The stability and electronic properties of Ni-doped gold clusters are similar to that of pure gold clusters with an enhancement of bond strength. Due to the strong d-d or s-d interplay between impurities and gold atoms originating in the relativistic effects and unique properties of dopant delocalized s-electrons in Pd- and Pt-doped gold clusters, the dopant atoms markedly change the geometric and electronic properties of gold clusters, and stronger bond energies are found in Pt-doped clusters. The Mulliken populations analysis of impurities and detailed decompositions of bond energies as well as a variety of density of states of the most stable dopant gold clusters are given to understand the different effects of individual dopant atom on bonding and electronic properties of dopant gold clusters. From the electronic properties of dopant gold clusters, the different chemical reactivity toward O2, CO, or NO molecule is predicted in transition metal-doped gold clusters compared to pure gold clusters." @default.
- W2091773936 created "2016-06-24" @default.
- W2091773936 creator A5003642180 @default.
- W2091773936 creator A5024887038 @default.
- W2091773936 creator A5071832662 @default.
- W2091773936 date "2005-03-15" @default.
- W2091773936 modified "2023-10-17" @default.
- W2091773936 title "Geometric, electronic, and bonding properties of AuNM (N=1–7, M=Ni, Pd, Pt) clusters" @default.
- W2091773936 cites W1542078995 @default.
- W2091773936 cites W1652860846 @default.
- W2091773936 cites W1680741064 @default.
- W2091773936 cites W1963729140 @default.
- W2091773936 cites W1965603563 @default.
- W2091773936 cites W1967419968 @default.
- W2091773936 cites W1968973216 @default.
- W2091773936 cites W1970322981 @default.
- W2091773936 cites W1975595602 @default.
- W2091773936 cites W1980807995 @default.
- W2091773936 cites W1985783199 @default.
- W2091773936 cites W1992089222 @default.
- W2091773936 cites W1994678042 @default.
- W2091773936 cites W1995753832 @default.
- W2091773936 cites W1995916166 @default.
- W2091773936 cites W1996039337 @default.
- W2091773936 cites W2000490928 @default.
- W2091773936 cites W2002790962 @default.
- W2091773936 cites W2004368424 @default.
- W2091773936 cites W2005136695 @default.
- W2091773936 cites W2007338758 @default.
- W2091773936 cites W2007614271 @default.
- W2091773936 cites W2009890875 @default.
- W2091773936 cites W2022190942 @default.
- W2091773936 cites W2023612200 @default.
- W2091773936 cites W2030019360 @default.
- W2091773936 cites W2031760252 @default.
- W2091773936 cites W2034284038 @default.
- W2091773936 cites W2036391022 @default.
- W2091773936 cites W2038210983 @default.
- W2091773936 cites W2038533471 @default.
- W2091773936 cites W2038668322 @default.
- W2091773936 cites W2041512102 @default.
- W2091773936 cites W2054126133 @default.
- W2091773936 cites W2055770627 @default.
- W2091773936 cites W2056611257 @default.
- W2091773936 cites W2063088500 @default.
- W2091773936 cites W2069245639 @default.
- W2091773936 cites W2069395171 @default.
- W2091773936 cites W2070535447 @default.
- W2091773936 cites W2071266477 @default.
- W2091773936 cites W2076858870 @default.
- W2091773936 cites W2078409719 @default.
- W2091773936 cites W2078487908 @default.
- W2091773936 cites W2078848485 @default.
- W2091773936 cites W2080613763 @default.
- W2091773936 cites W2081131652 @default.
- W2091773936 cites W2086822893 @default.
- W2091773936 cites W2090535647 @default.
- W2091773936 cites W2090857004 @default.
- W2091773936 cites W2092317906 @default.
- W2091773936 cites W2094135064 @default.
- W2091773936 cites W2095374362 @default.
- W2091773936 cites W2096868202 @default.
- W2091773936 cites W2103111465 @default.
- W2091773936 cites W2106206412 @default.
- W2091773936 cites W2108446403 @default.
- W2091773936 cites W2115638431 @default.
- W2091773936 cites W2116373706 @default.
- W2091773936 cites W2119129247 @default.
- W2091773936 cites W2124643104 @default.
- W2091773936 cites W2138609803 @default.
- W2091773936 cites W2150345533 @default.
- W2091773936 cites W2153748697 @default.
- W2091773936 cites W2166198169 @default.
- W2091773936 cites W2315186861 @default.
- W2091773936 cites W2403771932 @default.
- W2091773936 cites W2950436137 @default.
- W2091773936 cites W3017630402 @default.
- W2091773936 cites W3206606417 @default.
- W2091773936 doi "https://doi.org/10.1063/1.1862239" @default.
- W2091773936 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/15836218" @default.
- W2091773936 hasPublicationYear "2005" @default.
- W2091773936 type Work @default.
- W2091773936 sameAs 2091773936 @default.
- W2091773936 citedByCount "155" @default.
- W2091773936 countsByYear W20917739362012 @default.
- W2091773936 countsByYear W20917739362013 @default.
- W2091773936 countsByYear W20917739362014 @default.
- W2091773936 countsByYear W20917739362015 @default.
- W2091773936 countsByYear W20917739362016 @default.
- W2091773936 countsByYear W20917739362017 @default.
- W2091773936 countsByYear W20917739362018 @default.
- W2091773936 countsByYear W20917739362019 @default.
- W2091773936 countsByYear W20917739362020 @default.
- W2091773936 countsByYear W20917739362021 @default.
- W2091773936 countsByYear W20917739362022 @default.
- W2091773936 countsByYear W20917739362023 @default.
- W2091773936 crossrefType "journal-article" @default.
- W2091773936 hasAuthorship W2091773936A5003642180 @default.
- W2091773936 hasAuthorship W2091773936A5024887038 @default.
- W2091773936 hasAuthorship W2091773936A5071832662 @default.