Figure 7

Schematics of AgS2 complexes with multiple configurations and coverages. In panels (aāh), AgS2 complexes reside within the trough as seen in side view (a), and occupy two fold hollow sites as shown in the top-down view. In panel (i), AgS2 resides on top of substrate rows as seen in side view, and occupies short bridge sites as shown in the top-down view. Beneath each configuration is the chemical potential of sulfur (µS), with the chemical potential difference of the complex relative to the S adatom baseline (āµS) in parentheses. Coverages, supercell vectors, chemical potentials, and slab thicknesses are given in Supplementary Information (TableĀ SI-2). Yellow circles are sulfur atoms, blue circles are additional Ag atoms, white circles are topmost atoms of the Ag(110) substrate, and gray circles are Ag atoms in lower layers (darker gray indicates a deeper location).