Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
6505145 | Catalysis Today | 2016 | 8 Pages |
Abstract
- In vacuo DFT simulations for PtO showed formation of surface dipoles at zero net charge.
- Classical MD simulations showed proton distribution on a PtO/H2O/ionomer interface.
- A proton peak develops on the uncharged PtO surface due to the oxide layer dipole.
- The proton peak is not described by the conventional electric double layer models.
- The effects of pore structure and charge were studied on the proton peak development.
Keywords
Related Topics
Physical Sciences and Engineering
Chemical Engineering
Catalysis
Authors
Amin Nouri-Khorasani, Kourosh Malek, Ali Malek, Tetsuya Mashio, David P. Wilkinson, Michael H. Eikerling,