Atomic-Scale Mechanisms of Oxygen Electrode Delamination in Solid Oxide Electrolyzer Cells

Journal Article · Sun Jan 01 04:00:00 EST 2012 · International Journal of Hydrogen Energy

DOI:https://doi.org/10.1016/j.ijhydene.2011.09.117· OSTI ID:1035582

Rashkeev, Sergey N; Glazoff, Michael V

Materials used for different components (electrodes, electrolyte, steel interconnects, etc.) of solid oxide electrolyzer cell (SOEC) devices for hydrogen production have to function in aggressive, corrosive environments and in the presence of electric fields. This results in a number of degradation processes at interfaces between components. In this study, we used a combination of first-principles, density-functional-theory (DFT) calculations and thermodynamic modeling to elucidate the main processes that contribute into the oxygen delamination in typical SOEC device consisting of yttria-stabilized zirconia (YSZ) electrolyte and Sr-doped LaMnO3 (LSM) oxygen electrode. We found that high temperature inter-diffusion of different atoms across the LSM/YSZ interface significantly affects structural stability of the materials and their interface. In particular, we found that La and Sr substitutional defects positioned in ZrO2 oxide and near LSM/YSZ interface significantly change oxygen transport which may develop pressure buildup in the interfacial region and eventually develop delamination process. Simple models for estimating these effects are proposed, and different possibilities for inhibiting and/or mitigating undesirable delamination processes are discussed.

• Research Organization: Idaho National Laboratory (INL)
• Sponsoring Organization: DOE - NE
• DOE Contract Number: AC07-05ID14517
• OSTI ID: 1035582
• Report Number(s): INL/JOU-11-22776
• Journal Information: International Journal of Hydrogen Energy, Journal Name: International Journal of Hydrogen Energy Journal Issue: 2 Vol. 37; ISSN 0360-3199; ISSN IJHEDX
• Country of Publication: United States
• Language: English

Related Subjects

08 HYDROGEN
36 MATERIALS SCIENCE
ATOMS
BUILDUP
DEFECTS
ELECTRIC FIELDS
ELECTRODES
ELECTROLYTES
HYDROGEN PRODUCTION
High-Temperature electrolysis
OXIDES
OXYGEN
SIMULATION
STABILITY
STEELS
Solid oxide electrolyzer cell
THERMODYNAMICS
TRANSPORT
defect
interface