Autor segons l'article: Ma, Haibin; Ibanez-Ale, Enric; You, Futian; Lopez, Nuria; Yeo, Boon Siang
Departament: Química Física i Inorgànica
Autor/s de la URV: Lopez Alonso, Nuria
Paraules clau: Carbon-monoxide Copper Coverag Electroreduction Identification Multicarbon Ph-dependence Reduction Selectivity Total-energy calculations
Resum: During the electrochemical CO2 reduction reaction (eCO2RR) on copper catalysts, linear-bonded CO (*COL) is commonly regarded as the key intermediate for the CO-CO coupling step, which leads to the formation of multicarbon products. In this work, we unveil the significant role of bridge-bonded *CO (*COB) as an active species. By combining in situ Raman spectroscopy, gas and liquid chromatography, and density functional theory (DFT) simulations, we show that adsorbed *OH domains displace *COL to *COB. The electroreduction of a 12CO+13CO2 cofeed demonstrates that *COB distinctly favors the production of acetate and 1-propanol, while *COL favors ethylene and ethanol formation. This work enhances our understanding of the mechanistic intricacies of eCO(2)RR and suggests new directions for designing operational conditions by modifying the competitive adsorption of surface species, thereby steering the reaction toward specific multicarbon products.
Àrees temàtiques: Astronomia / física Biochemistry Catalysis Chemistry Chemistry (all) Chemistry (miscellaneous) Chemistry, multidisciplinary Ciência de alimentos Ciências agrárias i Ciências biológicas i Ciências biológicas ii Colloid and surface chemistry Engenharias ii Engenharias iii Engenharias iv Farmacia General chemistry Interdisciplinar Materiais Química
Accès a la llicència d'ús: https://creativecommons.org/licenses/by/3.0/es/
Adreça de correu electrònic de l'autor: nuria.lopez@urv.cat
Data d'alta del registre: 2024-11-23
Versió de l'article dipositat: info:eu-repo/semantics/publishedVersion
Referència a l'article segons font original: Journal Of The American Chemical Society. 146 (44): 30183-30193
Referència de l'ítem segons les normes APA: Ma, Haibin; Ibanez-Ale, Enric; You, Futian; Lopez, Nuria; Yeo, Boon Siang (2024). Electrochemical Formation of C2+ Products Steered by Bridge-Bonded *CO Confined by *OH Domains. Journal Of The American Chemical Society, 146(44), 30183-30193. DOI: 10.1021/jacs.4c08755
URL Document de llicència: https://repositori.urv.cat/ca/proteccio-de-dades/
Entitat: Universitat Rovira i Virgili
Any de publicació de la revista: 2024
Tipus de publicació: Journal Publications
Repositori URV