Table 1.

Geometric parameters, Fermi level, and conduction band minimum (CBM) of monolayer CSe for X-doping (X = O, S and Te) with different concentrations.

Doping Atoms	Concentration	Bond Type	Bond Length		Fermi Level	CBM
X	(%)	-	(Å)		(eV)	(eV)
			d1	d2
Pristine CSe	0.00	C–Se	1.961	2.016	0	1.59
S	1.56	C–Se	1.968	2.019	0	1.52
-	-	C–S	1.770	1.839	-	-
S	2.78	C–Se	1.969	2.020	0	1.48
-	-	C–S	1.775	1.838	-	-
S	6.25	C–Se	1.969	2.020	0	1.43
-	-	C–S	1.789	1.838	-	-
O	6.25	C–Se	1.983	2.057	0	1.54
-	-	C–O	1.662	1.490	-	-
Te	6.25	C–Se	1.957	2.004	0	1.39
-	-	C–Te	2.116	2.178	-	-