Oxygen reduction on a Pt(111) catalyst in HT-PEM fuel cells by density functional theory
The oxygen reduction reaction plays an important role in the performance of high-temperature proton exchange membrane (HT-PEM) fuel cells. In this study, a molecular dynamics model, which is based on the density functional theory and couples the system’s energy, the exchange-correlation energy funct...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2017-08-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.4994873 |