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Cover Picture: Critical Size for O 2 Dissociation by Au Nanoparticles (ChemPhysChem 2/2009)
Author(s) -
Roldán Alberto,
González Silvia,
Ricart Josep Manel,
Illas Francesc
Publication year - 2009
Publication title -
chemphyschem
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.200990004
Subject(s) - nanoparticle , dissociation (chemistry) , density functional theory , cover (algebra) , desorption , styrene , chemistry , nanotechnology , materials science , chemical physics , computational chemistry , organic chemistry , copolymer , adsorption , polymer , mechanical engineering , engineering
The cover picture shows the results of a systematic density functional theory study of the intrinsic reactivity of unsupported Au nanoparticles towards molecular oxygen dissociation. The top part of the image evidences the prediction that small nanoparticles such as Au 25 and Au 38 are able to dissociate O 2 through a small energy barrier. The middle part and bottom part of the image show the different behaviour of larger nanoparticles and of extended Au surfaces where impinging O 2 molecules are likely to desorb. These results by F. Illas et al. (page 348) provide an explanation to recent findings (Turner et al. Nature , 2008 , 454 , 981) indicating that Au nanoparticles derived from Au 55 are able to selectively oxidize styrene directly from dioxygen.