DENSITY FUNCTIONAL STUDIES OF NOBLE METAL CLUSTERS. ADSORPTION OF O2 AND CO ON GOLD AND SILVER CLUSTERS

Keywords

Chemisorption, Cluster (spacecraft), Density functional theory, Metal, Chemistry

References

• Structures of small gold cluster cations (Aun+, n<14): Ion mobility measurements versus density functional calculationsStefan Gilb, Patrick Weis, Filipp Furche — 2002
• Highly selective propene epoxidation with hydrogen/oxygen mixtures over titania-supported silver catalystsArmin Lange de Oliveira, Anke Wolf, Ferdi Schüth — 2001
• Quantum properties of atomic-sized conductorsNicolás Agraı̈t — 2002
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• Clusters of transition-metal atomsMichael D. Morse — 1986
• Low-temperature activation of molecular oxygen by gold clusters: a stoichiometric process correlated to electron affinityB. E. Salisbury, William T. Wallace, Robert L. Whetten — 2000
• Structures of Platinum Clusters: Planar or Spherical?†Li Xiao, Lichang Wang — 2004
• Toward the Solution Synthesis of the Tetrahedral Au20 ClusterHaifeng Zhang, Matthias Stender, Rui Zhang — 2004
• Ab initio study of the electric transport in gold nanocontacts containing single impuritiesKrisztián Palotás, B. Lazarovits, L. Szunyogh — 2004
• DFT studies of interaction between O 2 and Au clusters. The role of anionic surface Au atoms on Au clusters for catalyzed oxygenationMitsutaka Okumura, Yasutaka Kitagawa, Masatake Haruta — 2001
• Evaluation of exchange-correlation energy, potential, and stressL. C. Balbás, José Luı́s Martins, José M. Soler — 2001
• Interaction of O2 with Gold Clusters: Molecular and Dissociative AdsorptionBokwon Yoon, Hannu Häkkinen, Uzi Landman — 2003
• Generalized Gradient Approximation Made Simple.John P. Perdew, Kieron Burke, Matthias Ernzerhof — 1996
• Gas-phase catalytic oxidation of CO by Au(2-).Hannu Häkkinen, Uzi Landman — 2001
• Theoretical study of structural, electronic, and magnetic properties of AunM+ clusters (M=Sc, Ti, V, Cr, Mn, Fe, Au; n≤9)M. B. Torres, Eva M. Fernández, L. C. Balbás — 2005
• A DFT study of hydrogen and carbon monoxide chemisorption onto small gold clustersNoko S. Phala, Günter Klatt, Eric van Steen — 2004
• The adsorption of molecular oxygen on neutral and negative Aun clusters (n=2–5)G.A. Mills, Mark S. Gordon, Horia Metiu — 2002
• Density functional theory investigation of gold cluster geometry and gas-phase reactivity with O2David H. Wells, W. Nicholas Delgass, Kendall T. Thomson — 2002
• Cooperative effects in the activation of molecular oxygen by anionic silver clusters.Jan Hagen, Liana D. Socaciu, J. Le Roux — 2004
• AuN clusters (N=32,33,34,35): Cagelike structures of pure metal atomsXiao Gu, Min Ji, Shihao Wei — 2004

Cited by

• Planar and cagelike structures of gold clusters: Density-functional pseudopotential calculationsEva M. Fernández, José M. Soler, L. C. Balbás — 2006
• A comparative study of the electrostatic potential of fullerene-like structures of Au32 and Au42Donglai Wang, Xiaoping Sun, Hongtao Shen — 2008
• Theoretical Comparative Study of Oxygen Adsorption on Neutral and Anionic Agn and Aun Clusters (n = 2–25)Meng‐Sheng Liao, John D. W. Watts, Ming‐Ju Huang — 2014

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