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NEWT3-R-Oxo-anion_fig1

DFT results

DFT results from left to right show adsorption energies of selenate on Al203 and Fe203; the effect of protonation on adsorption energies in different configurations; and attribution of various interactions to the total adsorption energy

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NEWT
Related content: 
Density Functional Theory (DFT) Modeling of Oxo anion Adsorption of Different Metal Oxide Edge Structures
Related center: 
Nanosystems ERC for Nanotechnology Enabled Water Treatment Systems
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