Title of article :
Oxygen chemisorption on Au nanoparticles
Author/Authors :
Franceschetti، نويسنده , , A. and Pennycook، نويسنده , , S.J. and Pantelides، نويسنده , , S.T.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2003
Abstract :
Oxygen molecules do not adsorb on flat gold surfaces at room temperature, but recent experimental results have demonstrated adsorption of oxygen on small, negatively charged gold nanoparticles. Here we report first-principles density functional calculations of oxygen adsorption on neutral and charged Aun nanoparticles. We find that: (i) Oxygen molecules chemisorb on Aun clusters, with typical binding energies of 0.5–1.5 eV; the binding energy is larger for negatively charged clusters. (ii) In the most stable configurations, the two oxygen atoms are spatially separated and form a linear O–Au–O bridge. The results establish a correlation between the experimental reactivity of gold clusters and the oxygen binding energy.
Journal title :
Chemical Physics Letters
Journal title :
Chemical Physics Letters