A first principles study of the hydrogen reaction in alkaline media: OH effect

The effect of the electrolyte on the hydrogen electrode reaction (HER) has been investigated. As a starting point, we centered our studies on the Volmer reaction in alkaline media -H 2O+e -→H ad+OH -- on a Pt(111) surface. The adsorption process of the reaction intermediate H ad was investigated by quantum chemical calculations. Our analysis focused on the interaction of the OH and the H ad with the electronic bands of the metal electrode. © 2012, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.

Palabras clave: ALKALINE MEDIA , DFT , ELECTROCATALYST , HYDROGEN ADSORPTION

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Excepto donde se diga explícitamente, este item se publica bajo la siguiente descripción: Creative Commons Attribution-NonCommercial-ShareAlike 2.5 Unported (CC BY-NC-SA 2.5)

Identificadores

URI: http://hdl.handle.net/11336/199622

URL: http://www.sciencedirect.com/science/article/pii/S0360319911027960

DOI: http://dx.doi.org/10.1016/j.ijhydene.2011.12.103

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Articulos(CCT - SANTA FE)
Articulos de CTRO.CIENTIFICO TECNOL.CONICET - SANTA FE

Articulos(IFEG)
Articulos de INST.DE FISICA ENRIQUE GAVIOLA

Citación

Quaino, Paola Monica; Arce, Mauricio Damián; Santos, Elizabeth del Carmen; Schmickler, Wolfgang; A first principles study of the hydrogen reaction in alkaline media: OH effect; Pergamon-Elsevier Science Ltd; International Journal of Hydrogen Energy; 37; 19; 1-2012; 14796-14800

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