To gain microscopic insight into the structure of the three ion Na 2 CO 3 complex, its spatial arrangement relative to the interface, and the vibrational spectrum of its solvation shell, we performed a series of MD simulations using the LAMMPS software package. We considered dilute aqueous solutions of Na 2 CO 3 in the bulk as well as near an electrode. We studied the ions near an electrode at its potential of zero charge as well the anode and cathode of a cell under a 1 V potential drop. Free energy surfaces (FES) for the ion complex were constructed in each chemical environment using a two dimensional umbrella sampling scheme over the distances between the center of mass of the carbonate anion, and each Na + cation denoted r 1 and r 2 . A set of 14 harmonic biases,