2024
DOI: 10.1039/d4nh00046c
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Ab initio investigation of hot electron transfer in CO2 plasmonic photocatalysis in the presence of hydroxyl adsorbate

Zelio Fusco,
Dirk Koenig,
Sean C. Smith
et al.

Abstract: 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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