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To provide insights into the adsorption and photoreduction of uranium(VI) on TiO2, we have studied the structural and electronic properties of uranium(VI) aquo complexes adsorbed on stoichiometric and defected TiO2 surfaces and nanoparticles. Plane wave calculations with the pure PBE density functional and the PBE+U approach were used to study UVI complexes on a periodic rutile (110) slab. In addition,...
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