Geofluids / 2018 / Article / Fig 2

Research Article

CuCl Complexation in the Vapor Phase: Insights from Ab Initio Molecular Dynamics Simulations

Figure 2

The Cu-O radial distribution function (RDF, solid lines, left axes) and the coordination number (CN, dashed lines, right axes) versus the Cu-O distance. (a) The RDF of Cu with all O atoms in the simulation. (b) The RDF of Cu with O atoms in the solvent water (excluding the water molecule in the [CuCl(H2O)] clusters, second-shell hydration).
(a) RDF of Cu and O (in all water)
(b) RDF of Cu and O (in solvent water)

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