Density Functional Theory Study of Iron Phthalocyanine Porous Layer Deposited on Graphene Substrate: A Pt-Free Electrocatalyst for Hydrogen Fuel Cells

2016 ◽  
Vol 120 (10) ◽  
pp. 5384-5391 ◽  
Author(s):  
Sean Mussell ◽  
Pabitra Choudhury
Keyword(s):  
Density Functional Theory ◽  
Fuel Cells ◽  
Porous Layer ◽  
Density Functional ◽  
Iron Phthalocyanine ◽  
Hydrogen Fuel Cells ◽  
Density Functional Theory Study ◽  
Hydrogen Fuel ◽  
Functional Theory

A density functional theory study on 3d metal/graphene for the removal of CO from H2feed gas in hydrogen fuel cells

RSC Advances ◽  
2015 ◽  
Vol 5 (21) ◽  
pp. 16394-16399 ◽  
Author(s):  
Kai Li ◽  
Yang Li ◽  
Hao Tang ◽  
Menggai Jiao ◽  
Ying Wang ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Fuel Cells ◽  
Density Functional ◽  
Hydrogen Fuel Cells ◽  
Density Functional Theory Study ◽  
Hydrogen Fuel ◽  
Functional Theory

In M/graphene (M = Sc–Cu) systems, Fe, Co and Ni show higher efficiency for the removal of CO from H2feed gas.

A density functional theory study of catalytic sites for oxygen reduction in Fe/N/C catalysts used in H2/O2 fuel cells

2014 ◽  
Vol 16 (27) ◽  
pp. 13654 ◽  
Author(s):  
Csaba E. Szakacs ◽  
Michel Lefèvre ◽  
Ulrike I. Kramm ◽  
Jean-Pol Dodelet ◽  
François Vidal
Keyword(s):  
Density Functional Theory ◽  
Fuel Cells ◽  
Oxygen Reduction ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Catalytic Sites
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