Actinyl Adsorption and Reduction on Pyrite Surfaces: Insights from DFT Calculations
Author:
Affiliation:
1. Department of Earth and Environmental Sciences, University of Michigan, 1100 North University Avenue, 2534 North University Building, Ann Arbor, Michigan 48109-1005, United States;
Funder
Basic Energy Sciences
Publisher
American Chemical Society (ACS)
Subject
Space and Planetary Science,Atmospheric Science,Geochemistry and Petrology
Link
https://pubs.acs.org/doi/pdf/10.1021/acsearthspacechem.1c00410
Reference67 articles.
1. Electronic Structure and Bonding in Actinyl Ions and their Analogs
2. Recent Developments in Synthesis and Structural Chemistry of Nonaqueous Actinide Complexes
3. Solution and Solid-State Structural Chemistry of Actinide Hydrates and Their Hydrolysis and Condensation Products
4. Redox Energetics and Kinetics of Uranyl Coordination Complexes in Aqueous Solution
5. The geometric structures, vibrational frequencies and redox properties of the actinyl coordination complexes ([AnO2(L)n]m; An = U, Pu, Np; L = H2O, Cl−, CO32−, CH3CO2−, OH−) in aqueous solution, studied by density functional theory methods
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1. Electrochemical/computational analysis and the derivation of Pourbaix diagrams of redox-active structural and adsorbed species in uranyl peroxide clusters (U60);Geochimica et Cosmochimica Acta;2024-01
2. Virtual Special Issue of ACS Earth and Space Chemistry in Honor of Prof. Michael F. Hochella, Jr.;ACS Earth and Space Chemistry;2022-08-24
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