First-Principles Study of the Hydrogen Resistance Mechanism of PuO2-Reference-Cited by-同舟云学术

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First-Principles Study of the Hydrogen Resistance Mechanism of PuO2

Published:2020-03-23 Issue:13 Volume:5 Page:7211-7218
ISSN:2470-1343
Container-title:ACS Omega
language:en
Short-container-title:ACS Omega

Author:

Zhang Le¹,Sun Bo¹^ORCID,Zhang Qili¹,Liu Haifeng¹,Liu Kezhao²,Song Haifeng¹³

Affiliation:

1. Institute of Applied Physics and Computational Mathematics, No. 2 of Fenghao East Road, Beijing 100094, People’s Republic of China

2. Science and Technology on Surface Physics and Chemistry Laboratory, Mianyang 621908, People’s Republic of China

3. CAEP Software Center for High Performance Numerical Simulation, No. 6 of Huayuan Road, Beijing 100088, People’s Republic of China

Funder

Ministry of Industry and Information Technology of the People's Republic of China

National Natural Science Foundation of China

Foundations for Development of Science and Technology, China Academy of Engineering Physics

Publisher

American Chemical Society (ACS)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.acs.org/doi/pdf/10.1021/acsomega.9b03790

Reference55 articles.

1. Ground State Theory ofδ−Pu

2. First-Principles Calculations of PuO 2 ± x

3. Site-selective electronic correlation in α-plutonium metal

4. Nature of the5fstates in actinide metals

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3. Large-scale density functional theory simulations of defects and hydrogen incorporation in PuO2;Physical Review B;2024-06-03

4. The Adsorption Behavior of Hydrogen on the PuO2(111) Surface: A DFT+U Study;Coatings;2024-02-01

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