Bonding xenon and krypton on the surface of uranium dioxide single crystal
We present density functional theory (DFT) calculation results of krypton and xenon atoms interaction on the surface of uranium dioxide single crystal. A pseudo-potential approach in the generalised gradient approximation (GGA) was applied using the ABINIT program package. To compute the unit cell p...
Main Authors: | , |
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Format: | Article |
Language: | English |
Published: |
Sciendo
2014-08-01
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Series: | Nukleonika |
Subjects: | |
Online Access: | https://doi.org/10.2478/nuka-2014-0013 |