Photo-induced oxidation and desorption of CO on Ru(0001)
| Autor: | Tetenoire, Auguste, Juaristi Oliden, Joseba Iñaki, Alducin Ochoa, Maite |
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| Přispěvatelé: | Donostia International Physics Center, Eusko Jaurlaritza, Ministerio de Ciencia, Innovación y Universidades (España), Agencia Estatal de Investigación (España) |
| Rok vydání: | 2021 |
| Zdroj: | Digital.CSIC. Repositorio Institucional del CSIC instname |
| ISSN: | 2019-1073 |
| Popis: | Resumen del trabajo presentado al APS March Meeting, celebrado de forma virtual del 13 al 19 de marzo de 2021. The oxidation of carbon monoxide (CO) on different transition metal surfaces, including ruthenium, is a benchmarkreaction for theoretical and experimental studies of heterogeneous catalysis. Bonn and coworker investigated the photo-induced desorption andoxidation of CO adsorbed on an oxygen pre-covered surface of Ru(0001) with a 800nm femtosecond laser. This experiment predicts that, theelectronic excitations created by the laser pulse modify the yield of the reaction by promoting the recombination of carbon monoxide and oxygenatom. Simulations based on the advanced ab-initio molecular dynamics method that includes electronic friction (AIMDEF) and thermostats showthat not only the laser-excited electrons matter. It is the electron-phonon synergy that ultimately facilitates the CO oxidation on the surface. Work supported by the Donostia International Physics Center, the Gobierno Vasco-UPV/EHU project IT1246-19 and the Spanish MICINN [Grant No.PID2019-107396GB-I00/AEI/10.13039/501100011033]. This research was conducted in the scope of the LTC “QuantumChemPhys – TheoreticalChemistry and Physics at the Quantum Scale”. |
| Databáze: | OpenAIRE |
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