DOI

Fabrication, handling and disposal of nuclear fuel materials require comprehensive knowledge of their surface morphology and reactivity. Due to unavoidable contact with air components (even at low partial pressures), UN samples contain considerable amount of oxygen impurities affecting fuel properties. In this study we focus on reactivity of the energetically most stable (0 0 1) substrate of uranium nitride towards the atomic oxygen as one of initial stages for further UN oxidation. The basic properties of O atoms adsorbed on the UN(0 0 1) surface are simulated here combining the two first principles calculation methods based on the plane wave basis set and that of the localized orbitals.

Язык оригиналаанглийский
Страницы (с-по)50-53
Число страниц4
ЖурналSurface Science
Том603
Номер выпуска1
DOI
СостояниеОпубликовано - 1 янв 2009

    Предметные области Scopus

  • Физика конденсатов
  • Поверхности и интерфейсы
  • Поверхности, слои и пленки
  • Химия материалов

ID: 43149481