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Density Functional Theory Study of Oxygen Adsorption and Dissociation on Lower Miller Index Surfaces of ThN

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Thorium nitride (ThN), a promising metallic nuclear fuel with higher actinide density and higher thermal conductivity, is investigated as a candidate nuclear fuel for the next generation of reactor... Click to show full abstract

Thorium nitride (ThN), a promising metallic nuclear fuel with higher actinide density and higher thermal conductivity, is investigated as a candidate nuclear fuel for the next generation of reactor...

Keywords: adsorption dissociation; density functional; study oxygen; oxygen adsorption; theory study; functional theory

Journal Title: Journal of Physical Chemistry C
Year Published: 2020

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