Influence of Sodium Loading on CO Adsorption ...
URL: http://www.seipub.org/rap/paperInfo.aspx?ID=3361
The interaction of carbon monoxide with the gold monomer in two oxidation states 0 and +1 both in the gas phase and on an NaY zeolite support is studied using density functional theory (DFT).Three structures of the zeolite having different Na ion loading are considered.CO vibrational frequency shows a blue shift on going from the oxidation state 0 to +1.The CO binding energy values of 1.19 and 1.21 eV for the oxidation state 0 are higher than the corresponding values in the oxidation state +1.This is irrespective of the number of Na ions present in the cluster.
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| id | 15e8f60b-c5de-4543-8a2b-173194b9fea6 |
| package id | 6f6ee75f-328b-401e-91a8-cd5f8207daab |
| position | 6 |
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| revision id | e059b117-7eb4-4809-b97c-3984cec4740a |
| state | active |