Adsorption and dissociation behavior of H2 on PuH2 (100), (110) and (111) surfaces: a density functional theory+U study-Reference-Cited by-同舟云学术

Adsorption and dissociation behavior of H2 on PuH2 (100), (110) and (111) surfaces: a density functional theory+U study

Published:2020 Issue:33 Volume:10 Page:19576-19586
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Luo Wenhua¹²³^ORCID,Wan Lei⁴⁵⁶³^ORCID,Li Gan¹²³,Gao Tao⁴⁵⁶³

Affiliation:

1. China Academy of Engineering Physics

2. Mianyang

3. P. R. China

4. Institute of Atomic and Molecular Physics

5. Sichuan University

6. Chengdu 610065

Abstract

The density functional theory (DFT) and DFT plus correction for on-site Coulomb interaction (DFT+U) method were performed to investigate the adsorption and dissociation of H₂ on PuH₂ (100), (110) and (111) surfaces.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2020/RA/D0RA01621G

Reference45 articles.

1. Rational Design of Sequestering Agents for Plutonium and Other Actinides

2. Localization of 5f electrons in δ-plutonium: Evidence for the Kondo effect

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