The Electronic Structure and Chemical Properties of a Ni/CeO2 Anode in a Solid Oxide Fuel Cell: A DFT + U Study

2010 ◽  
Vol 114 (49) ◽  
pp. 21411-21416 ◽  
Author(s):  
M. Shishkin ◽  
T. Ziegler
Keyword(s):  
Electronic Structure ◽  
Fuel Cell ◽  
Solid Oxide Fuel Cell ◽  
Chemical Properties ◽  
Solid Oxide ◽  
Oxide Fuel ◽  
And Chemical Properties

Influence of Ca-doping in layered perovskite PrBaCo2O5+δ on the phase transition and cathodic performance of a solid oxide fuel cell

2016 ◽  
Vol 4 (17) ◽  
pp. 6479-6486 ◽  
Author(s):  
Chaehyun Lim ◽  
Areum Jun ◽  
Hongil Jo ◽  
Kang Min Ok ◽  
Jeeyoung Shin ◽  
...  
Keyword(s):  
Phase Transition ◽  
Fuel Cell ◽  
Solid Oxide Fuel Cell ◽  
Chemical Properties ◽  
Double Perovskite ◽  
Solid Oxide ◽  
Layered Perovskite ◽  
Oxide Fuel ◽  
Ca Doping

We investigated the phase transition and its correlated electrical and electro-chemical properties of a novel double perovskite series, PrBa1−xCaxCo2O5+δ.

scholarly journals First-principles calculations on electronic properties of LaNiO3 in solid oxide fuel cell cathodes

2017 ◽  
Vol 33 (3) ◽  
Author(s):  
Duy Pham Ba ◽  
Huy Duy Nguyen ◽  
Cong Thanh Bach
Keyword(s):  
Electronic Structure ◽  
Fuel Cell ◽  
Fermi Level ◽  
Solid Oxide Fuel Cell ◽  
First Principles ◽  
Unit Cell ◽  
Solid Oxide ◽  
Oxide Fuel ◽  
First Principles Calculations ◽  
Metallic Behavior

First-principles calculations based on the density functional theory are used to study the electronic structure of LaNiO3 perovskite for application of cathode material in solid oxide fuel cell. Our results show that bulk LaNiO3 exhibits metallic behavior. For 1x1x1 LaNiO3 unit cell, increasing in-plane strain leads to the increase in the density of states (DOS) at the Fermi level. On the other hand, the DOS at the Fermi level for 2x2x2 LaNiO3 supercell first increases with the strain up to 3% and then decreases for larger values of the strain. The difference between the electronic structure of the 2x2x2 supercell and that of the 1x1x1 unit cell is attributed to the rotations of NiO6 octahedra.

Electronic Structure Measurements of Heteroepitaxial Solid Oxide Fuel Cell Cathode Thin Films

2014 ◽  
Vol 64 (2) ◽  
pp. 203-210 ◽  
Author(s):  
Y. Yu ◽  
K. F. Ludwig ◽  
U. B. Pal ◽  
S. Gopalan ◽  
S. N. Basu
Keyword(s):  
Thin Films ◽  
Electronic Structure ◽  
Fuel Cell ◽  
Solid Oxide Fuel Cell ◽  
Solid Oxide ◽  
Oxide Fuel ◽  
Fuel Cell Cathode ◽  
Cell Cathode

Three-Dimensional Simulation of Planar Solid Oxide Fuel Cell Stack

2008 ◽  
Vol 128 (2) ◽  
pp. 459-466 ◽  
Author(s):  
Yoshitaka Inui ◽  
Tadashi Tanaka ◽  
Tomoyoshi Kanno
Keyword(s):  
Fuel Cell ◽  
Solid Oxide Fuel Cell ◽  
Three Dimensional ◽  
Solid Oxide ◽  
Oxide Fuel ◽  
Fuel Cell Stack ◽  
Dimensional Simulation
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