DFT study on the effect of electric field on the adsorption of methanol on Pd(1 1 1)
Density functional theory (DFT) calculations for the methanol oxidation reaction (MOR) has attracted much more attention than ever before, since the mechanism of methanol dehydrogenation is very important in direct methanol fuel cell (DMFC). Herein, methanol adsorption on Pd(111) with different elec...
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
EDP Sciences
2020-01-01
|
| Series: | E3S Web of Conferences |
| Online Access: | https://www.e3s-conferences.org/articles/e3sconf/pdf/2020/73/e3sconf_acic2020_01028.pdf |