Table 1 The lattice parameters and cohesive energies of different C/Si materials
From: First Principles Study of Penta-siligraphene as High-Performance Anode Material for Li-Ion Batteries
a (Å) | dC2–C1/Si(Å) | dC2–C2 dSi–Si (Å) | Ecoh (eV·atom−1) | |
|---|---|---|---|---|
Graphene | 2.460 | 1.420 | − 9.14 | |
P-C6 | 3.636 | 1.549 | 1.339 | − 8.24 |
Diamond | 3.574 | 1.547 | − 9.01 | |
Silicon | 5.471 | 2.369 | − 5.34 | |
g-Si2C4 | 5.007 | 1.794 | 1.441 | − 7.46 |
P-Si2C4 | 4.405 | 1.907 | 1.362 | − 7.26 |