Table 2 Bonding information comparison of ReS2 and MoS2
Properties | ReS2 | MoS2 | |
|---|---|---|---|
Intra-cluster | Inter-cluster | ||
\(d_{{\mathrm{metal}}-{\mathrm{metal}}}^{{\mathrm{avg}}.}\) (Å) | 2.88 | 3.78 | 3.18 |
\({\mathrm{ICOHP}}_{{\mathrm{metal}} - {\mathrm{metal}}}^{{\mathrm{avg}}.}\) | −1.26 | −0.05 | −0.58 |
\(d_{{\mathrm{metal}}-{\mathrm{S}}}^{{\mathrm{avg}}.}\) (Å) | 2.38 | 2.45 | 2.41 |
\({\mathrm{ICOHP}}_{{\mathrm{metal}}\!-\!{\mathrm{S}}}^{{\mathrm{avg}}.}\) | −3.18 | −2.79 | −3.16 |
\(E_{{\mathrm{cohesive}}}\) (eV) | −5.46 | −5.33 | |