Figure 9
Top and side views of two possible configurations of zigzag Ag-S chains. Values of ĀµS (in eV) are shown, calculated from DFT using PBE. The value in parentheses is the difference from baseline, (āĀµS). (a) Top rows of Ag atoms are in two-fold hollow sites with S adatoms in quasi-three-fold hollow sites. (b) Top row of Ag atoms occupy long bridge sites with S adatoms in quasi-four-fold hollow sites.
