Theoretical study on the effective methanol decomposition on Pd(1 1 1) surface facilitated in alkaline medium
Methanol serves as energy carrier in direct methanol fuel cells. The decomposition pathways of methanol on Pd(1 1 1) surface in both neutral and alkaline medium are studied by density functional theory. In neutral medium, the activation barriers are rather high for both C–H and O–H bonds breaking of...
| Main Authors: | , , , |
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| Format: | Journal Article |
| Published: |
Elsevier
2011
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| Subjects: | |
| Online Access: | http://hdl.handle.net/20.500.11937/17046 |