Table 1. Hirshfeld charges distribution before and after Si adsorption.

Atoms	Si adsorption on G		Si adsorption on SG
	G	G–Si	SG	SG–Si(A)	SG–Si(B)
C1	−0.001	−0.004	0.010	−0.006	−0.004
C2	−0.001	−0.028	0.003	−0.022	−0.113
C3	−0.001	−0.029	0.004	−0.013	−0.100
C4 (or Si4)		0.120	−0.016	−0.001	−0.019
S5			0.093	0.214	0.206
C6			−0.016	−0.035	−0.024
C7			−0.003	−0.070	−0.013
C8			−0.009	−0.028	−0.006
Si9				0.190	0.145

The charge was calculated for the indicated atoms on graphene (G) and sulfur-doped graphene (SG), atoms labelling are indicated in Supplementary Figs 9 and 10.