The Selectivity Origins in Ag-Catalyzed CO2 Electroreduction.
J Phys Chem Lett
; 15(25): 6621-6627, 2024 Jun 27.
Article
en En
| MEDLINE
| ID: mdl-38888276
ABSTRACT
Ag exhibits high selectivity of electrochemical CO2 reduction (CO2R) toward C1 products, while the hydrogenation involving the concerted proton-electron transfer (CPET) or sequential electron-proton transfer (SEPT) mechanism is still in debate. Toward a better understanding of the Ag-catalyzed electrochemical CO2R, we employed a microkinetic model based on the Marcus electron transfer theory to thoroughly investigate the selectivity of C1 products of electrochemical CO2R over the Ag(111) surface. We found that at an acidic condition of pH = 1.94, formate is the main product when U < -0.94 V via the CPET mechanism, whereas CO becomes the primary product when U > -0.94 V via the SEPT mechanism. Conversely, at an alkaline condition of pH = 13.95, formate is the main product following the SEPT mechanism. Our findings provide novel insights into the influence of external factors (applied potential and pH) on the product selectivity and hydrogenation mechanism of electrochemical CO2R.
Texto completo:
1
Base de datos:
MEDLINE
Idioma:
En
Revista:
J Phys Chem Lett
/
J. phys. chem. lett
/
The journal of physical chemistry letters
Año:
2024
Tipo del documento:
Article
País de afiliación:
China