Development of theoretical models of bimetallic nanostructures for hydrogen electrocatalysis

PAOLA QUAINO; ELIZABETH SANTOS; ERICA SCHULTE

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

The international society of electrochemistry

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