Investigation of the CH3CN-CO2 Potential Energy Surface (PES) Using Symmetry-Adapted Perturbation Theory (SAPT)

Williams, Hayes L.; Rice, Betsy M.; Chabalowski, Cary F.

doi:10.21236/ada383319

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2015

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“…Besides, Williams et al [26] have proposed that CO 2 and acetonitrile can form stable complexes. Therefore, it is expected that the structure and energy state of CO 2 molecule change according to the solvent polarity, or water concentration.…”

Section: Accepted M Manuscriptmentioning

confidence: 99%

Electrochemical reduction of CO2 in water-acetonitrile mixtures on nanostructured Cu electrode

Díaz-Duque

Sandoval-Rojas

Molina-Osorio

et al. 2015

Electrochemistry Communications

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This communication studies the CO 2 reduction reaction in H 2 O/CH 3 CN mixtures on nanostructured copper. It was found that nanostructured copper electrode presents a welldefined voltammogram in acetonitrile, where it can be seen three signals related to adsorbed or surface attached (thin films) species. Also, it was found that the current density of CO 2 reduction in mixtures H 2 O/CH 3 CN on nanostructured copper electrodes with a molar fraction around 0.25 is higher than those observed with molar fractions lower than 0.15 or higher than 0.35. Finally, nanostructured Cu electrodes show higher catalytic activity towards the CO 2 reduction than copper electrode.

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Section: Accepted M Manuscriptmentioning

confidence: 99%