Please use this identifier to cite or link to this item: http://nopr.niscair.res.in/handle/123456789/29253
Title: Enhanced interaction of molecular oxygen with amino acid complexes of silver and gold clusters
Authors: Manzoor, Dar
Pal, Sourav
Keywords: Theoretical chemistry;Density functional calculations;Metal clusters;Gold clusters;Silver clusters;Amino acid complexes
Issue Date: Aug-2014
Publisher: NISCAIR-CSIR, India
Abstract: Density functional theory calculations have been carried out to study the effect of amino acid adsorption on the reactivity of silver and gold clusters with molecular oxygen. It is found that the amino acids glycine and alanine form stable complexes with both Ag4 and Au4 clusters. However, the extent of interaction is more in the case of the Au4 cluster, as reflected from the increase in binding energy in the amino acid Au4 complexes. Our results confirm that the adsorption of amino acids glycine and alanine enhances the reactivity of Ag4 and Au4 clusters towards O2 molecule. The enhanced reactivity of O2 molecule towards the amino acid metal cluster complexes is manifested by an increase in the O2 binding energy and a decrease in the M–O (M = Ag, Au) bond length. Moreover, it is found that the co-adsorption of amino acids and O2 molecule on the Ag4 and Au4 clusters is cooperative.
Page(s): 996-1000
URI: http://hdl.handle.net/123456789/29253
ISSN: 0975-0975(Online); 0376-4710(Print)
Appears in Collections:IJC-A Vol.53A(08-09) [August-September 2014]

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