Adsorption of OH on the PdxCu3-x(x=0-3) small clusters is investigated by density functional theory calculations. It is found that OH adsorbs in three possible modes including on top, bridge and hollow sites while the structures where OH bridges between two atoms are the most stable structures. The Pd-Pd, Pd-Cu and Cu-Cu equilibrium distances for most of the systems...

We explore an approach to derive a computable chemical potential analog for thermostatted steady-state systems arbitrarily far from equilibrium. Although our method is not rigorous, it is based on theoretical and numerical evidence and exploits analogies with Widom's method widely used in computer simulations of equilibrium fluids. We obtain two formulas, one for steady states and one for the t...