Using first-principles density functional theory, we study the effect of particle size and surface structure on the chemisorption energy of OH and O on nanoparticles of Pt. We find that the chemisorption energies of O and OH are strongly affected by the size and structure of the Pt particle varying by up to 1.0 eV at different adsorption sites and particle sizes.
|Journal||Physical Review B - Condensed Matter and Materials Physics|
|Publication status||Published - 2008 Feb 13|
All Science Journal Classification (ASJC) codes
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics