Adsorption Mechanism of Cu-Doped SnO₂ (110) Surface toward H₂ Dissolved in Power Transformer

Table 2

Bond length and overlap population of pure and Cu-doped SnO₂ surfaces.

	Pure SnO2 surface		Cu-doped SnO2 surface
	BL (Å)	OP	BL (Å)	OP
O12-Sn12	2.013	0.41	—	—
O12-Cu	—	—	2.024	0.32
O12-Sn4	2.013	0.41	2.059	0.38
O8-Sn8	2.099	0.24	2.006	0.43
O12-Sn8	2.099	0.24	2.082	0.29
O24-Sn8	2.013	0.41	1.994	0.45
O8-Sn15	1.968	0.52	2.006	0.43
O24-Sn15	1.968	0.52	1.994	0.45
O28-Sn15	2.099	0.24	2.082	0.29

Notes: the bond length and overlap population of Cu(Sn12)-O16, Cu(Sn12)-O28, and Cu(Sn12)-O32 are the same with Cu(Sn12)-O12.