CO oxidation reaction on Au, Ag and Cu nanoparticles as catalytic substrates

SOL GUADALUPE OTERO; MARÍA M. BRANDA; PATRICIA GABRIELA BELELLI; BRUNO PASCUCCI

Montevideo

Congreso; QUITEL 2016, 42 nd International Congress of Theoretical Chemists of Latin Expression; 2016

Quitel 2016

The carbon monoxide (CO) oxidation has been the main task of many experimental and theoretical research groups. The industry continues looking for alternatives to catalyze CO oxidation. The need of newer, faster and more efficient forms to eliminate one of the more abundant and pollutant gas has been the motivation of this work. In this sense, we proposed to study catalysts based on Au, Ag and Cu nanoparticles (NPs)designed with 19, 38 and 55 atoms (Figure 1). They expose (111) and (110) planes and show corners and edges with many low coordination atoms.