Fig. 4: Coordination analysis of the first solvation shell of alkali metal cations around TS. | Nature Communications

Fig. 4: Coordination analysis of the first solvation shell of alkali metal cations around TS.

From: Molecular understanding of the critical role of alkali metal cations in initiating CO2 electroreduction on Cu(100) surface

Fig. 4

a The number of coordinated O for Li+, Na+, K+, and Cs+ cations at the Cu(100)–electrolyte interface with and without the *CO2. b Contour map of the distance distribution between alkali metal cations and two oxygens of CO2, statistically derived from snapshots around the transition state. The results of Li+, Na+, K+, and Cs+ are represented by green, orange, purple, and blue, respectively.

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