TY - JOUR
T1 - CO oxidation by copper cluster anions
AU - Hirabayashi, Shinichi
AU - Kawazoe, Yoshiyuki
AU - Ichihashi, Masahiko
PY - 2013/2
Y1 - 2013/2
N2 - Reactions of CO and O2 on size-selected copper cluster anions, Cu-n (n = 4-11), have been investigated at the collision energy of 0.2 eV by use of a guided ion beam-tandem mass spectrometer. Oxygen-adsorbed copper anions, CunO-2, in particular Cu5O-2 and Cu9O -2, show an evidence of the CO oxidation, that is, the formation of the monoxide CunO-. The density functional theory calculation reveals that the CO oxidation occurs more exothermically on Cu5O-2 and Cu9O- 2 than the other clusters. This can be explained by the relatively small dissociation energy of their Cu-O bonds. In addition, the calculations on Cu5O+2/- indicate that the CO oxidation proceeds via a low-energy pathway for the anion owing to the structural rearrangement of the copper cluster compared to the cation.
AB - Reactions of CO and O2 on size-selected copper cluster anions, Cu-n (n = 4-11), have been investigated at the collision energy of 0.2 eV by use of a guided ion beam-tandem mass spectrometer. Oxygen-adsorbed copper anions, CunO-2, in particular Cu5O-2 and Cu9O -2, show an evidence of the CO oxidation, that is, the formation of the monoxide CunO-. The density functional theory calculation reveals that the CO oxidation occurs more exothermically on Cu5O-2 and Cu9O- 2 than the other clusters. This can be explained by the relatively small dissociation energy of their Cu-O bonds. In addition, the calculations on Cu5O+2/- indicate that the CO oxidation proceeds via a low-energy pathway for the anion owing to the structural rearrangement of the copper cluster compared to the cation.
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U2 - 10.1140/epjd/e2012-30493-5
DO - 10.1140/epjd/e2012-30493-5
M3 - Article
AN - SCOPUS:84876246459
SN - 1434-6060
VL - 67
JO - European Physical Journal D
JF - European Physical Journal D
IS - 2
M1 - 35
ER -