The oxidn. of CO on single Pd atoms anchored to MgO(100) surface oxygen vacancies is studied with temp.-programmed-reaction mass spectrometry and IR spectroscopy. In one-heating-cycle expts., CO2, formed from O2 and CO preadsorbed at 90 K, is detected at 260 and 500 K. Ab-initio simulations suggest two reaction routes, with Pd(CO)2O 2 and PdCO3CO found as precursors for the low and high temp. channels, resp. Both reactions result in annealing of the vacancy and induce migration and coalescence of the remaining Pd-CO to form larger clusters. [on SciFinder(R)]     «

The oxidn. of CO on single Pd atoms anchored to MgO(100) surface oxygen vacancies is studied with temp.-programmed-reaction mass spectrometry and IR spectroscopy. In one-heating-cycle expts., CO2, formed from O2 and CO preadsorbed at 90 K, is detected at 260 and 500 K. Ab-initio simulations suggest two reaction routes, with Pd(CO)2O 2 and PdCO3CO found as precursors for the low and high temp. channels, resp. Both reactions result in annealing of the vacancy and induce migration and coalescence o...     »