Table 1 The system energy (E sys) and adsorption energy (E ad) of a single Ag atom adsorption on different high coordination sites (H3, B2 and S) at Si(111)-7 × 7 and 19H-Si(111)-7 × 7 surfaces
From: Influences of H on the Adsorption of a Single Ag Atom on Si(111)-7 × 7 Surface
Surface | Site | E sys(eV) | E ad(eV) |
---|---|---|---|
Si(111)-7 × 7 | H3 | −1,199.384 | −2.299 |
B2 | −1,199.389 | −2.304 | |
S | −1,199.503 | −2.418 | |
19H- Si(111)-7 × 7 | H3 | −1,279.740 | −0.906 |
B2 | −1,279.729 | −0.895 |