Determination of activation energies of formic acid decomposition on the (100) surface of palladium catalysts.
The decomposition of formic acid (HCOOH), specifically the C-H and O-H bond cleavage was studied by density functional calculations on the (100) surface of singlemetal Pd. The NEB method was utilized to determine the TS structures for the decomposition reactions, and...
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| Format: | Final Year Project (FYP) |
| Language: | English |
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2010
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| Online Access: | http://hdl.handle.net/10356/39856 |