A multiscale theoretical methodology for the calculation of electrochemical observables from ab initio data: Application to the oxygen reduction reaction in a Pt(111)-based polymer electrolyte membrane fuel cell

2011 ◽  
Vol 56 (28) ◽  
pp. 10842-10856 ◽  
Author(s):  
Rodrigo Ferreira de Morais ◽  
Philippe Sautet ◽  
David Loffreda ◽  
Alejandro A. Franco
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