First-Principles Study of Nitrogen Adsorption and Dissociation on PuH<sub>2</sub> (111) Surface

First-Principles Study of Nitrogen Adsorption and Dissociation on PuH<sub>2</sub> (111) Surface

Plutonium mononitride is one of the main fuels for Generation IV reactors and can be prepared from nitrogenation of plutonium hydride. We investigated the adsorption and dissociation of nitrogen on PuH<sub>2</sub> (111) surface to elaborate the initial stage of nitrogenation. The adsorpt...

Full description

Bibliographic Details
Main Authors: Changshui Wang, Kai Zhang, Peng Song, Xiaofei Hu, Jinglin Mu, Zhichao Miao, Jin Zhou, Hui He
Format: Article
Language:English
Published: MDPI AG 2020-04-01
Series:Molecules
Subjects:
density functional theory
molecular and dissociative adsorptions
plutonium mononitride
reaction barrier
PuH<sub>2</sub> (111) surface
nitrogenation
Online Access:https://www.mdpi.com/1420-3049/25/8/1891

Internet

https://www.mdpi.com/1420-3049/25/8/1891

Similar Items