2020
DOI: 10.1016/j.cjche.2020.04.015
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An experimental study of electroreduction of CO2 to HCOOH on SnO2/C in presence of alkali metal cations (Li+, Na+, K+, Rb+ and Cs+) and anions (HCO3−, Cl−, Br− and I−)

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Cited by 17 publications
(12 citation statements)
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“…Both short-and medium-range cation-induced interactions account for an equivalent stabilizing effect. Instead, in the absence of cations, the medium-range *CO 2 --dipole/electric field interaction only accounts for a weaker stabilization (-0.2 eV), unable to open the CO 2 reduction pathway (Supplementary Note 2, Supplementary equation (8) and Supplementary Fig. 12).…”
Section: Resultsmentioning
confidence: 99%
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“…Both short-and medium-range cation-induced interactions account for an equivalent stabilizing effect. Instead, in the absence of cations, the medium-range *CO 2 --dipole/electric field interaction only accounts for a weaker stabilization (-0.2 eV), unable to open the CO 2 reduction pathway (Supplementary Note 2, Supplementary equation (8) and Supplementary Fig. 12).…”
Section: Resultsmentioning
confidence: 99%
“…We can instead estimate the energy of a cation at the OHP at U = 0 V versus SHE from our AIMD simulations, as we specifically inserted an alkali metal at the OHP, which donates its valence electron to the solvation layer (equation (7); the gold surface is represented by the symbol *, and the solvation layer is indicated by 'solv'). Thus, we can calculate the thermodynamic driving force for each cation to accumulate at the OHP as in equation (8). Considering the lowest energy configurations for Li + , Na + , K + and Cs + during the last 2 ps of the AIMD simulation, E OHP -E bulk (bulk electrolyte) correlates with the cation ionic radius 63 .…”
Section: Data Availabilitymentioning
confidence: 99%
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“…Sodium and potassium are alkali metals that can form, respectively, neutral and alkali salts, depending on the anion they react with [ 39 , 40 ]. The literature suggests that stresses from alkaline and neutral salts are two separate types of abiotic stressors [ 34 , 41 , 42 , 43 , 44 ].…”
Section: Discussionmentioning
confidence: 99%
“…For the cations, the majority of studies are dealing with alkali metals, with the conclusion that Cs + > K + > Na + > Li + 66–74 . The researchers also checked the effect of cations and proposed that there are three different theories concerning the mechanism as reviewed by Waegele et al, 75 even though the general trend is similar.…”
Section: Structure–activity Relationshipmentioning
confidence: 99%