Comparison of the rate-limiting steps and corresponding activation energy barriers (E_a) in eV for the N₂O and CO reactions on catalysts calculated by DFT method at 0 K.

Catalyst	E a (eV)		E ad (eV)
	N2O → N2 + O*	CO + O* → CO2	N2O	CO	CO2
SiN4G (this work)	0.34	0.66	−0.97	−0.66	−0.37
SiN4G35		0.72		−0.55	−0.26
Mn-N4 carbon nanotube (MnN4CNT)51		1.49		−2.20
Si-doped graphene (SiG)15	0.5	0.3	−0.18	−0.19	−0.18
Se-doped graphene (SeG)15	1.8	0.7	−0.22	−0.18	−0.21
Si-doped boron nitride nanotubes (SiB-BNNTs)13	BLa	0.08	N/A	−0.19
Si-doped boron nitride nanotubes (SiN-BNNTs)13	BLa	0.42	N/A	−0.16
Silicon carbide nanotubes ((6,0)-SiCNT)17	0.71	1.01	−0.64	−0.38
Silicon carbide nanosheets (SiCNS)17	1.12	0.98	−0.59	−0.18	−0.14
Pd-doped graphene (PdG)52		0.26		−1.04	−0.21
Al-doped graphene (AlG)16	0.24	0.06	−0.81	−0.62	−0.52
Ti-doped graphene (TiG)16	BLa	0.16	N/A	−1.03	−0.32
Fe-doped graphene (FeG)49	0.4	0.2	−0.4	−1.5	−0.4
Pd-doped boron nitride (PdBN)53		0.23		−1.07	−0.06
Ag-doped boron nitride (AgBN)54		0.17		−1.04	−0.36
Co-doped boron nitride (AgBN)55		0.16		−1.04	−0.33
Ag6Au7 cluster11	1.1	0.5	−0.2	−0.5	−0.1
Cu7 cluster1	BLa	0.9	N/A
Cu12 cluster1	BLa	0.8	N/A

^aBL denotes a barrierless process.