Strong Adsorption Between Uranium Dicarbide and Graphene Surface Induced by f Electrons
نویسندگان
چکیده
منابع مشابه
Defect-induced strong localization of uranium dicarbide on the graphene surface.
Defects such as the most stable hexavacancy (V6) distribute widely on neutron-irradiated graphite surfaces, which play a dominant role in immobilizing radioactive products released from nuclear fuels. By performing DFT calculations, we explore the interaction of gaseous uranium dicarbide (UC2) molecules on a graphene nanosheet with a V6 defect, in order to investigate the behavior of the repres...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry C
سال: 2013
ISSN: 1932-7447,1932-7455
DOI: 10.1021/jp4102493