期刊
COORDINATION CHEMISTRY REVIEWS
卷 266, 期 -, 页码 137-154出版社
ELSEVIER SCIENCE SA
DOI: 10.1016/j.ccr.2013.09.019
关键词
Actinide oxides; Actinide nitrides; Actinide carbides; Hybrid DFT; Electronic structure; f-Elements
资金
- LANL Laboratory Directed Research and Development program
- Department of Energy Basic Energy Sciences program
- Center for Integrated Nanotechnologies, a US Department of Energy, Office of Basic Energy Sciences
- Div Of Civil, Mechanical, & Manufact Inn
- Directorate For Engineering [1131290] Funding Source: National Science Foundation
Over the past five years we have developed a solution based technique for synthesizing high quality epitaxial thin films of actinide materials. These films include oxides (UO2, U3O8, PuO2, and NpO2), UC2, UN2, UC2-xOx, and UN2-xOx. These nearly single crystal quality films have allowed unprecedented experimental measurements (ARPES, optical band gap, electrical conductivity, and XRD). These data have bench marked and advanced DFT theoretical predictions and understanding of bonding and electronic structure in f-orbital actinide materials. The synthesis and characterization of the films, measurement of electronic structure, and the resulting validation of theoretical models are reviewed. The potential impacts of this work in areas ranging from nuclear energy to environmental fate of actinides in the environment are discussed. (C) 2013 Elsevier B.V. All rights reserved.
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