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Table 3 The Bader charge (in electrons) of penta-graphene (P-C6), penta-siligraphene (P-Si2C4) and their Li-adsorbed states P-Li4C6 and P-Li4Si2C4. Siligraphene (g-Si2C4) is also included for comparison. The values in the parentheses are the positive or negative charge of the correspond atoms

From: First Principles Study of Penta-siligraphene as High-Performance Anode Material for Li-Ion Batteries

Atoms P-C6 g-Si2C4 P-Si2C4 P-Li4C6 P-Li4Si2C4
C1/Si 3.92 (+ 0.08) 1.65 (+ 2.35) 1.64 (+ 2.36) 3.99 (+ 0.01) 1.65 (+ 2.35)
C2/C3 4.04 (− 0.04) 3.68/5.68 5.18 (− 1.18) 4.67(− 0.47) 5.83 (− 1.83)
Li 0.34 0.40/0.29