Browsing Theoretical and Applied Physics by Author "Igunbor, Emmanuel"
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First Principle Study: Absorption of Molecular Hydrogen Sulphide on Gold Clusters
Igunbor, Emmanuel (2009-11-13)We present theoretical results of the study of H 2 S adsorption on gold cluster Au n (n = 1, 5) using density functional theory with Perdew-Burke-Ernzerhof (PBE) exchange-correlation energy functional. Minimum energy ...