The role of CO on initial oxidation behavior of α-U(001) surface: A first principles study

A first-principles approach based on density-functional theory has been used to investigate the corrosion resistance of alpha-U in the CO environment. Calculations show that O2 molecules spontaneously dissociate on the uranium surface, and the two O atoms formed by dissociation tend to adsorb on the...

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Bibliographic Details
Main Authors: Longxian Li, Min Zhu, Yan Li, Yanru Ren, Longfei Pu, Chengxuan Peng
Format: Article
Language:English
Published: Elsevier 2025-01-01
Series:Nuclear Engineering and Technology
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S173857332400367X
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