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Title: Formation, Stability, and Chemistry of Tetravalent Actinide Nanocrystals

Abstract

First database with almost 4000 stable structures for thorium dioxide (ThO 2) n (n≤8) calculated with density functional theory. The figure shows the lowest energy minima for different units of ThO 2 and the energy landscape generated by the found stable structures for Th 8O 16. This highlights the structural richness of the ThO interactions.

Authors:
 [1];  [1]
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Publication Date:
Research Org.:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE Laboratory Directed Research and Development (LDRD) Program
OSTI Identifier:
1422896
Report Number(s):
LA-UR-18-20914
DOE Contract Number:  
AC52-06NA25396
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Inorganic and Physical Chemistry

Citation Formats

Yang, Ping, and Aguirre Castiblanco, Nestor Fabian. Formation, Stability, and Chemistry of Tetravalent Actinide Nanocrystals. United States: N. p., 2018. Web. doi:10.2172/1422896.
Yang, Ping, & Aguirre Castiblanco, Nestor Fabian. Formation, Stability, and Chemistry of Tetravalent Actinide Nanocrystals. United States. doi:10.2172/1422896.
Yang, Ping, and Aguirre Castiblanco, Nestor Fabian. Tue . "Formation, Stability, and Chemistry of Tetravalent Actinide Nanocrystals". United States. doi:10.2172/1422896. https://www.osti.gov/servlets/purl/1422896.
@article{osti_1422896,
title = {Formation, Stability, and Chemistry of Tetravalent Actinide Nanocrystals},
author = {Yang, Ping and Aguirre Castiblanco, Nestor Fabian},
abstractNote = {First database with almost 4000 stable structures for thorium dioxide (ThO2)n (n≤8) calculated with density functional theory. The figure shows the lowest energy minima for different units of ThO2 and the energy landscape generated by the found stable structures for Th8O16. This highlights the structural richness of the ThO interactions.},
doi = {10.2172/1422896},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {2}
}

Technical Report:

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