Fig. 3: Electronic properties of C3A/water interface.
From: Molecular insight into the initial hydration of tricalcium aluminate
Charge distribution of interface region projected to (a) z-axis and (b) xy plane (iso-surface value of 2.62 × 10−2  e/Å3). c Local density of states (LDOS) of various surface ions and (d) detailed LDOS of various oxygen ions. The positive \(\triangle q\) value (a) or yellow areas (b) refer charge accumulation regions around these ions, while a negative value or green areas mean charge depletion regions.
