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Browsing by Subject "O(2) activation"

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Generation of defects on oxide supports by doping with metals and their role in oxygen activation

Boronat Zaragoza, Mercedes; Corma Canós, Avelino (Elsevier, 2011-07-01)

Doping of anatase TiO2 with Au and Fe has been investigated using DFT methods. The geometry distortion, charge and spin density distribution in the lattice and oxygen vacancy formation energies calculated for the Au- and ...

Now showing items 1-1 of 1