First-Principles Calculation of Conductivity of Ce-C Codoped SnO₂ Contacts

Table 2

Charge populations.

Model	Species	s track	p track	d track	f track	Total population	Charge population
SnO2	Sn	0.83	1.31	0	—	2.14	1.86
	O	1.85	5.08	0		6.93	−0.93
C-SnO2	Sn	0.82	1.31	0	—	2.06	1.83
	O	1.85	5.07	0	—	6.93	−0.93
	C	1.66	3.06	0	—	4.73	−0.73
Ce-SnO2	Sn	0.90	1.28	0	—	2.17	1.82
	O	1.88	5.03	0	—	6.91	−0.91
	Ce	2.26	6.01	1.41	0.92	10.59	1.41
Ce-C-SnO2	Sn	0.81	1.31	0	—	2.19	1.81
	O	1.85	5.05	0	—	6.91	−0.91
	Ce	2.28	5.90	1.47	1.05	10.70	1.30
	C	1.67	2.99	0	—	4.66	−0.66