Original paper
Effects of single metal atom (Pt, Pd, Rh and Ru) adsorption on the photocatalytic properties of anatase TiO 2
Abstract
The effects of single metal atom (Pt, Pd, Rh and Ru) adsorption on the photocatalytic properties of anatase TiO2 are investigated by means of the first-principles calculations based on density functional theory (DFT). Our results show that the most stable adsorption site for single metal atom on anatase TiO2 (101) surface is the bridge site formed by two twofold coordinated oxygen (O2c) atoms at the step edge. Due to the charge transfer from...
Paper Details
Title
Effects of single metal atom (Pt, Pd, Rh and Ru) adsorption on the photocatalytic properties of anatase TiO 2
Published Date
Jul 11, 2017
Journal
Volume
426
Pages
639 - 646
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