Confinement dependence of electro-catalysts for hydrogen evolution from water splitting

Density functional theory is utilized to articulate a particular generic deconstruction of the electrode/electro-catalyst assembly for the cathode process during water splitting. A computational model was designed to determine how alloying elements control the fraction of H2 released during zirconiu...

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Bibliographic Details
Main Authors: Mikaela Lindgren, Itai Panas
Format: Article
Language:English
Published: Beilstein-Institut 2014-02-01
Series:Beilstein Journal of Nanotechnology
Subjects:
DFT
Online Access:https://doi.org/10.3762/bjnano.5.21