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Using DFT calculation, we investigate the effects of halogens on the interactions between rutile TiO2 (110) and noble metal atoms (Au, Ag, Cu, Pt, and Pd). Fluorine, chlorine, and bromine atoms occupy the oxygen defect sites of TiO2, decreasing the stability of noble metal atoms on the surface. This decrease occurs because the halogens inhibit electron transfer from TiO2 to the noble metal atoms;...
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