Loading...
Please wait, while we are loading the content...
Similar Documents
The oxygen reduction reaction on Pt(111) and Pt(100) surfaces substituted by subsurface Cu: a theoretical perspective
| Content Provider | Semantic Scholar |
|---|---|
| Author | Li, Yang Wang, Ying He, Feng Jiao, Menggai Tang, Hao Wu, Zhijian |
| Copyright Year | 2015 |
| Abstract | The mechanisms of the oxygen reduction reaction (ORR) on Pt/Cu(111) and Pt/Cu(100) have been investigated by using density functional theory. Compared with pure Pt(111) and Pt(100), the adsorptions of ORR intermediates are weakened on both Pt/Cu(111) and Pt/Cu(100) surfaces. The ORR follows the oxygen dissociation mechanism on Pt/Cu(100) which is the same as that on pure Pt(100). However, the ORR mechanism is the peroxyl dissociation mechanism on pure Pt(111), hydrogen peroxide dissociation on Pt/Cu(111). The rate determining step is OH + H+ + e− → H2O on Pt/Cu(100) and pure Pt(100), O + H+ + e− → OH on pure Pt (111) and OOH + H+ + e− → H2O2 on Pt/Cu(111). Compared with the energy barrier of the rate determining step on pure Pt(111) (0.86 eV) and Pt(100) (0.76 eV), the ORR reaction activity is improved on Pt/Cu(111) and hindered on Pt/Cu(100), with the barriers of 0.40 and 0.85 eV, respectively. For the effects of electric potential, OH protonation is favorable thermodynamically at a broad electrode potential (from 0 to 1.23 V) on the Pt/Cu(111) surface, in agreement with the high durability of Pt/Cu observed in experiments. The working potentials of Pt/Cu(111) and Pt/Cu(100) are predicted to be 0.39 and 0.73 V, respectively. |
| Starting Page | 11444 |
| Ending Page | 11452 |
| Page Count | 9 |
| File Format | PDF HTM / HTML |
| DOI | 10.1039/C5TA01017A |
| Volume Number | 3 |
| Alternate Webpage(s) | http://www.rsc.org/suppdata/c5/ta/c5ta01017a/c5ta01017a1.pdf |
| Alternate Webpage(s) | https://doi.org/10.1039/C5TA01017A |
| Language | English |
| Access Restriction | Open |
| Content Type | Text |
| Resource Type | Article |
