CH4 dissociation on the Pd/Cu(111) surface alloy: A DFT study
The periodic four-layered model of the pure Cu(111) surface has been considered, and the effect of doping with palladium on CH4 dissociation has been investigated. The most stable adsorption geometries of CHx species (x = 1–4) and H atom on the PdCu(111) and pure Cu(111) surfaces have been obtained....
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| Format: | Article |
| Language: | English |
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De Gruyter
2020-11-01
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| Series: | Open Physics |
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| Online Access: | https://doi.org/10.1515/phys-2020-0195 |