Figure 3
From: Novel Unexpected Reconstructions of (100) and (111) Surfaces of NaCl: Theoretical Prediction
Bader charges (to be compared with the bulk values of +0.83 for Na and −0.83 for Cl) for the (111) surface reconstructions of NaCl including (a) NaCl-(1 × 1), (b) Na3Cl-(1 × 1), and (c) Na3Cl2-(1 × 1). The red and blue colors depicted sodium and chlorine atoms.
