Shift of infrared vibrational spectra and H2O activation on PtCu alloy clusters
Despite significant progress made in the past decades, there is still lack of insights into the reactivity of H2O on metal catalysts, in particular, the effect of vibrational modes of H2O in reaction. Here, we report, to the best of our knowledge, the first ab initio study on the correlation between...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2020-08-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/5.0012534 |