Density functional study on the adsorption of some aliphatic aldehydes on (ZnO)12 and M-doped (ZnO)12 nanocages

Adsorption of aliphatic aldehydes was studied on Zn12O12 nanocage. Structure and adsorption energy of formaldehyde on transition metal-doped (ZnO)12 nanocage was studied. The dopants changed the gas-sensing properties of (ZnO)12. Effects of chain-length and steric congestions are investigated.148