DFT Study of Cs/Sr/Ag Adsorption on Defective Matrix Graphite

Figure 3

Geometries of vacancy and interstitial obtained by full optimization. (a) “Bridge” and (b) “spiro” interstitial structures in matrix graphite; (c) single vacancy on matrix graphite surface. Red balls represent the interstitial carbon atoms. All distances and bond lengths are in Å.

(a)

(b)

(c)