Cyclic Nanostructures of Tungsten Oxide as Gas Sensor: A Theoretical Study

Table 1

Energy of adsorption for all structures (in −eV) and adsorption through O-head (N-head) of NO.

Method	W2O6	W3O9	W4O12	W5O15	W6O18
B3LYP	0.147 (0.205)	0.221 (0.244)	0.202 (0.218)	0.107 (0.194)	0.180 (0.195)
X3LYP	0.340 (0.685)	0.230 (0.276)	0.230 (0.247)	0.212 (0.220)	0.209 (0.215)