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Reversed surface segregation in palladium-silver alloys due to hydrogen adsorption |
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| Authors: | OM Lvvik Susanne M Opalka |
| Institution: | aDepartment of Physics, University of Oslo, P.O. Box 1048 Blindern, N-0316 Oslo, Norway;bInstitute for Energy Technology, P.O. Box 40, N-2027 Kjeller, Norway;cUnited Technologies Research Center, 411 Silver Lane, East Hartford, CT 06108, USA |
| Abstract: | It is well known that silver segregates to the surface of pure and ideal Pd–Ag alloy surfaces. By first-principles band-structure calculations it is shown in this paper how this may be changed when hydrogen is adsorbed on a Pd–Ag(1 1 1) surface. Due to hydrogen binding more strongly to palladium than to silver, there is a clear energy gain from a reversal of the surface segregation. Hydrogen-induced segregation may provide a fundamental explanation for the hydrogen or reducing treatments that are required to activate hydrogen-selective membrane or catalyst performance. |
| Keywords: | Density-functional calculations Surface segregation Palladium Silver Hydrogen |
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