Effect of halogen atoms (Cl, Br, I) on the structure and catalytic behavior of Ag(111) surface: a density functional theory study

A comparative study on the effects of different halogen atoms (Cl, Br, I) on the structure and catalytic behavior of Ag(111) has been performed with a series of cluster calculations using the density functional theory method. The results of calculations show that the atomic adsorption energies of ha...

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