NO Monomers on MgO Powders and Thin films.

摘要: The interaction of nitric oxide with the surface MgO at low temperature has been studied experimentally and theoretically. High-surface-area polycrystalline prepared by chemical vapor deposition exposed toboth 1 4 NO 5 corresponding adsorption complexes have monitored means electron paramagentic resonance (EPR) spectra. MgO( 100) thin films grown on Mo( in UHV conditions to products investigated thermal desorption (TDS) Fourier transform infrared (FTIR) spectroscopies. structure properties NO/MgO(100) cluster model density functional theory (DFT) calculations. EPR data show that only 0.5% total deposited is a paramagnetic state; out species, 98% are physisorbed 2% chemisorbed. This explained fact terrace sites monomers interact very weakly prefer form dimers, (NO) 2 . Only defect (low-coordinated cations) stronger prevents formation diamagnetic dimers. A small minority chemisorbed species formed coordinated anions (steps, edges, or corners) oxygen vacancies.