کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1405740 | 1501802 | 2012 | 6 صفحه PDF | دانلود رایگان |

Adsorption energies of CO, CO2, N2O, N2, NO, NH3 and CO/N2O, NO/NH3 and CO2/N2 co-adsorptions on the ZnO graphene-like nanosheet (ZnOGLNS) were obtained using DFT calculations. The energies and thermodynamic properties for conversion of CO + N2O to CO2 + N2 over the ZnOGLNS, its equilibrium constant and adsorption coefficients are reported. The activation energy for the conversion reaction of CO + N2O to CO2 + N2 over the ZnOGLNS of 42.30 kcal/mol was obtained. The CO + N2O to CO2 + N2 conversion over the ZnOGLNS is the energetically and thermodynamically preferred reaction.
► Adsorptions of N2O, CO, N2, CO2, NO and NH3 on the ZnO graphene-like nanosheets (ZnOGLNS) were studied.
► Co-adsorptions of N2O/CO, N2/CO2 and NO/NH3 on the ZnOGLNS were studied.
► Mechanism of the N2O/CO conversion to N2/CO2 over the ZnOGLNS was investigated.
► Energetics and thermodynamic properties of all reactions over the ZnOGLNS are reported.
Journal: Journal of Molecular Structure - Volume 1012, 28 March 2012, Pages 50–55