DFT+U calculations show that Xe-metal defect pairs in UO2 are more stable than separated Xe and metal atoms, with Pd and Mo binding most strongly.
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Xenon-metal pair formation in UO2 investigated using DFT+U
DFT+U calculations show that Xe-metal defect pairs in UO2 are more stable than separated Xe and metal atoms, with Pd and Mo binding most strongly.