作者: Brian White , Ming Yin , Andrew Hall , Duy Le , Sergey Stolbov
DOI: 10.1021/NL061457V
关键词: Catalysis 、 Ab initio 、 Thermal decomposition 、 Silicon dioxide 、 Copper oxide 、 Nanoparticle 、 Chemistry 、 Silica gel 、 Inorganic chemistry 、 Copper
摘要: We find that nearly monodisperse copper oxide nanoparticles prepared via the thermal decomposition of a Cu(I) precursor exhibit exceptional activity toward CO oxidation in CO/O2/N2 mixtures. Greater than 99.5% conversion to CO2 could be achieved at temperatures less 250 degrees C for over 12 h. In addition, phase diagram and pathway on Cu2O (100) is computed by ab initio methods found qualitative agreement with experimental findings.