Development of theoretical models of bimetallic nanostructures for hydrogen electrocatalysis

E. SCHULTE; E. SANTOS; P. QUAINO

Encuentro; 20th Topical Meeting of the International Society of Electrochemistry; 2017

Catalytic processes ocurring in an electrochemical environment are more complex than those investigated in surface science. The chemistry of hydrogen on various surfaces and nanostructures has been explained by several authors [1], due to its fundamental and practical importance.Accordingly, our work is focused on the design of bimetallic nanostructures as electrocatalysts for the hydrogen reaction. The structures were moldeled as Pt n -Pd m , being n and m interger numbers, deposited on a gold surface. We have analyzed various geometric arrangements (2D clusters, wires, etc.) and several chemical compositions (n and m), in orden to assess differences in the reactivity and selectivity thereof.In addition, we have studied the adsorption of hydrogen on these systems in different sites of high symmetry, in order to determine the stability, reactivity, adsorption process and, finally, contribute to the design of electrocatalysts.