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Ab initio investigation of hot electron transfer in CO2 plasmonic photocatalysis in the presence of hydroxyl adsorbate

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Nanoscale Horiz., 2024, Advance Article
DOI: 10.1039/D4NH00046C, Communication
Zelio Fusco, Dirk Koenig, Sean C. Smith, Fiona Jean Beck
Co-adsorbed hydroxyl species play a significant role in changing the energy landscape of the plasmon-mediated CO2 reaction. These promote CO2 activation and transfer of hot electrons in newly formed hybridized orbitals, thereby improving selectivity.
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