Dependence of oxygen dissociative adsorption on platinum surface structures
College of Science
Physical Review B - Condensed Matter and Materials Physics
We carry out density functional theory-based calculations to investigate the oxygen (O2) dissociative adsorption on two platinum (Pt) surfaces, viz., Pt(111) and Pt(001). We calculated the corresponding total energies, for varying O2 center-of-mass distances from the Pt surface, and varying O-O interatomic distances. Our calculation results show that the O2 dissociative adsorption progresses much more easily on Pt(001) than on Pt(111). These results are in good agreement with experimentally observed differences and trends in reactivities of Pt(001) and Pt(111). © 2005 The American Physical Society.
Digitial Object Identifier (DOI)
Yotsuhashi, S., Yamada, Y., Diño, W., Nakanishi, H., & Kasai, H. (2005). Dependence of oxygen dissociative adsorption on platinum surface structures. Physical Review B - Condensed Matter and Materials Physics, 72 (3) https://doi.org/10.1103/PhysRevB.72.033415
Oxygen—Absorption and adsorption; Platinum; Density functionals