We have located links that may give you full text access.
Reaction of CO 2 with UO 3 Nanoclusters.
Journal of Physical Chemistry. A 2017 November 10
Adsorption of CO2 to uranium oxide, (UO3 )n , clusters was modeled using density functional theory (DFT) and coupled cluster theory (CCSD(T)). Geometries and reaction energies were predicted for carbonate formation (chemisorption) and Lewis acid-base addition of CO2 (physisorption) to these (UO3 )n clusters. Chemisorption of multiple CO2 moieties was also modeled for dimer and trimer clusters. Physisorption and chemisorption were both predicted to be thermodynamically allowed for (UO3 )n clusters, with chemisorption being more thermodynamically favorable than physisorption. The most energetically favored (UO3 )3 (CO2 )m clusters contain tridentate carbonates, which is consistent with solid-state and solution structures for uranyl carbonates. The calculations show that CO2 exposure is likely to convert (UO3 )n to uranyl carbonates.
Full text links
Related Resources
Get seemless 1-tap access through your institution/university
For the best experience, use the Read mobile app
All material on this website is protected by copyright, Copyright © 1994-2024 by WebMD LLC.
This website also contains material copyrighted by 3rd parties.
By using this service, you agree to our terms of use and privacy policy.
Your Privacy Choices
You can now claim free CME credits for this literature searchClaim now
Get seemless 1-tap access through your institution/university
For the best experience, use the Read mobile app