| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1565141 | Journal of Nuclear Materials | 2014 | 7 Pages |
Abstract
Chemical and physical adsorption of a H2O molecule on a Zr (0 0 0 1) surface is studied by first principle calculations. A surface zirconium atom is substituted by a metal element atom in the 4th and 5th period of the periodic table to investigate the doping effect on the water adsorption. Doping elements Ge, Sn, Sb, Zn, Ga, Ru, Rh, Pd, Ag, Cr, Mn, Fe, Co, Ni, Cu, Nb, and Mo can increase the oxidation resistance. This strategy can be used to design high oxidation resistance cladding material for light water reactor.
Related Topics
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Nuclear Energy and Engineering
Authors
Yifan Nie, Wei Xiao,