Effect of Surface Deposited Pt on the Photoactivity of TiO2

• DOI: 10.1021/jp301862m
• Publication Date: 2012-04-16T04:46:23Z
• Authors: Christopher L. Mu...; Yun Zhou; Aaron M. Holder; Alan W. Weimer; Charles B. Musgrave
• Keywords: 01 natural sciences; 0104 chemical sciences

The roles of deposited Pt clusters and adsorbed O2 in the photoactivity anatase TiO2 (101) surfaces have been studied using density functional theory. only adsorbs to when excess negative charge is available form O–Ti bonds, which can be provided by a photoexcited electron or subsurface oxygen vacancy, cases adsorption energies are −0.94 −2.52 eV, respectively. When near defect, it scavenges extra creates hole that annihilate excited electrons. In aqueous solutions, interactions with surface rare because water preferentially at surface. on significantly enhance providing many sites up −1.69 stronger than −0.52 eV energy H2O cluster. Consequently, increases rate scavenging relative undoped leading enhanced photocatalytic performance. states completely bridge band gap act as electron–hole recombination centers, deleterious TiO2. initial rise subsequent fall TiO2's loading results from competition between due increased recombination.