Combined theoretical and experimental analysis of processes determining cathode performance in solid oxide fuel cells

MM Kuklja, EA Kotomin, R Merkle… - Physical chemistry …, 2013 - pubs.rsc.org
Solid oxide fuel cells (SOFC) are under intensive investigation since the 1980's as these
devices open the way for ecologically clean direct conversion of the chemical energy into …

Enhancement of La 0.6 Sr 0.4 Co 0.2 Fe 0.8 O 3-δ durability and surface electrocatalytic activity by La 0.85 Sr 0.15 MnO 3±δ investigated using a new test electrode …

ME Lynch, L Yang, W Qin, JJ Choi, M Liu… - Energy & …, 2011 - pubs.rsc.org
A carefully designed test cell platform with a new electrode structure is utilized to determine
the intrinsic surface catalytic properties of an electrode. With this design, the electrocatalytic …

Pathways for Oxygen Incorporation in Mixed Conducting Perovskites: A DFT-Based Mechanistic Analysis for (La, Sr)MnO3−δ

YA Mastrikov, R Merkle, E Heifets… - The Journal of …, 2010 - ACS Publications
An extensive set of DFT calculations on LaMnO3 slabs has been generated and used as a
basis to identify the most probable reaction mechanism for oxygen incorporation into (La, Sr) …

Dislocations Accelerate Oxygen Ion Diffusion in La0.8Sr0.2MnO3 Epitaxial Thin Films

E Navickas, Y Chen, Q Lu, W Wallisch, TM Huber… - ACS …, 2017 - ACS Publications
Revealing whether dislocations accelerate oxygen ion transport is important for providing
abilities in tuning the ionic conductivity of ceramic materials. In this study, we report how …

Faster Diffusion of Oxygen Along Dislocations in (La,Sr)MnO3+δ Is a Space‐Charge Phenomenon

JM Börgers, J Kler, K Ran, E Larenz… - Advanced Functional …, 2021 - Wiley Online Library
In displaying accelerated oxygen diffusion along extended defects,(La, Sr) MnO3+ δ is an
atypical acceptor‐doped perovskite‐type oxide. In this study, 18O/16O diffusion experiments …

Ab initio defect energetics of perovskite (001) surfaces for solid oxide fuel cells: A comparative study of versus and

YL Lee, D Morgan - Physical Review B, 2015 - APS
In this paper, we perform a comparative study based on ab initio modeling for perovskite
ABO 3 (001) surfaces and surface defect energetics in order to understand the influence of …

Flexible multiphysics simulation of porous electrodes: conformal to 3D reconstructed microstructures

ME Lynch, D Ding, WM Harris, JJ Lombardo… - Nano Energy, 2013 - Elsevier
The rate of many chemical and energy transformation processes depends on the kinetics of
charge and mass transfer in porous electrodes, but rational design of efficient …

Ab initio and empirical defect modeling of LaMnO 3±δ for solid oxide fuel cell cathodes

YL Lee, D Morgan - Physical Chemistry Chemical Physics, 2012 - pubs.rsc.org
Sr doped LaMnO3 is a perovskite widely used for solid oxide fuel cell (SOFC) cathodes.
Therefore, there is significant interest in its defect chemistry. However, due to coupling of …

Surface termination effects on the oxygen reduction reaction rate at fuel cell cathodes

YA Mastrikov, R Merkle, EA Kotomin… - Journal of Materials …, 2018 - pubs.rsc.org
The results of first principles calculations of oxygen vacancy and oxygen adsorbate
concentrations are analyzed and compared for the polar (La, Sr) O and MnO2 (001) …

The surprisingly high activation barrier for oxygen-vacancy migration in oxygen-excess manganite perovskites

JM Börgers, RA De Souza - Physical Chemistry Chemical Physics, 2020 - pubs.rsc.org
The current description of oxygen-vacancy behaviour in (La, Sr) MnO3 perovskite-type
oxides, though widely accepted, ignores a pronounced discrepancy. Values of the activation …