Abstract
During the operation of accelerator-driver systems, hazardous polonium isotopes are produced and their release affects the safety of the nuclear reactors. Reliable filter systems have been proposed to be developed and silver has been studied as one of candidate filter materials. In this work, the adsorption of atomic polonium on defective silver surface is calculated using first principles and strongly chemisorption was obtained. Vacancy on Ag (100), Ag (110), Ag (111) surfaces and hollow site at the step edge of Ag (211) surface are preferred Po adsorption sites. Effect of Bi2 molecule pollution on adsorption of Po is further considered. The result shows that the existence of Bi2 molecule reduces the capture ability of silver to Po, but strong adsorption was still obtained on the surfaces.
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