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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

  1. The H3, B2 and S sites are indicated in Fig. 1

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