Table 2 The Li adsorption energies/heights at different sites on the unit cell of P-Si2C4. The adsorption height is defined as the vertical distance from the Li ion to the P-Si2C4 center plane. The numbers in the parentheses are corresponding values with vdW corrections
From: First Principles Study of Penta-siligraphene as High-Performance Anode Material for Li-Ion Batteries
H site | T site | B1 site | B2 site | |
|---|---|---|---|---|
Ead (eV) | − 1.905(− 2.048) | − 1.732(− 1.903) | − 1.922(− 2.053) | − 1.713(− 1.834) |
Height (Å) | 2.066(2.064) | 2.241(2.233) | 1.629(1.627) | 2.670(2.654) |