Direct modeling of the electrochemistry in the three-phase boundary of solid oxide fuel cell anodes by density functional theory: a critical overview

2014 ◽  
Vol 16 (5) ◽  
pp. 1798-1808 ◽  
Author(s):  
M. Shishkin ◽  
T. Ziegler
Keyword(s):  
Density Functional Theory ◽  
Fuel Cell ◽  
Phase Boundary ◽  
Density Functional ◽  
Solid Oxide ◽  
Oxide Fuel ◽  
Functional Theory ◽  
Three Phase ◽  
Direct Modeling ◽  
Critical Overview

scholarly journals Density Functional Theory Modeling of A-site Cation Diffusion in Bulk LaMnO3±δfor Solid Oxide Fuel Cell Cathodes

2017 ◽  
Vol 78 (1) ◽  
pp. 2797-2806 ◽  
Author(s):  
Yueh-Lin Lee ◽  
Yuhua Duan ◽  
Dane Morgan ◽  
Dan Sorescu ◽  
Harry Abernathy ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Fuel Cell ◽  
Density Functional ◽  
Solid Oxide ◽  
Oxide Fuel ◽  
Cation Diffusion ◽  
Functional Theory ◽  
Fuel Cell Cathodes ◽  
A Site ◽  
Cell Cathodes
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