Open AccessDensity Functional Theory Modeling of A-site Cation Diffusion in Bulk LaMnO3±δfor Solid Oxide Fuel Cell Cathodes
Author(s) -
YuehLin Lee,
Yuhua Duan,
Dane Morgan,
Dan C. Sorescu,
Harry Abernathy,
Gregory Hackett
Publication year - 2017
Publication title -
ecs transactions
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.235
H-Index - 52
eISSN - 1938-6737
pISSN - 1938-5862
DOI - 10.1149/07801.2797ecst
Subject(s) - vacancy defect , ionic radius , diffusion , chemical physics , density functional theory , ionic bonding , solid oxide fuel cell , dopant , oxide , cathode , materials science , cluster (spacecraft) , chemistry , inorganic chemistry , ion , electrolyte , crystallography , computational chemistry , thermodynamics , doping , electrode , physics , optoelectronics , organic chemistry , computer science , metallurgy , programming language
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