Enhancing the Faradaic efficiency of solid oxide electrolysis cells: progress and perspective

PS Gaikwad, K Mondal, YK Shin… - npj Computational …, 2023 - nature.com
To reduce global warming, many countries are shifting to sustainable energy production
systems. Solid oxide electrolysis cells (SOECs) are being considered due to their high …

Modeling of PEM fuel cell catalyst layers: status and outlook

PC Sui, X Zhu, N Djilali - Electrochemical Energy Reviews, 2019 - Springer
Computational modeling has played a key role in advancing the performance and durability
of polymer electrolyte membrane fuel cells (PEMFCs). In recent years there has been a …

Understanding the ionic conductivity maximum in doped ceria: trap** and blocking

J Koettgen, S Grieshammer, P Hein… - Physical Chemistry …, 2018 - pubs.rsc.org
Materials with high oxygen ion conductivity and low electronic conductivity are required for
electrolytes in solid oxide fuel cells (SOFC) and high-temperature electrolysis (SOEC). A …

Effects of Bi-do** on structure and properties of YBaCo2O5+ δ layered perovskite cathode for intermediate-temperature solid oxide fuel cells

X Bao, X Su, S Wang, B Pan, L Wang, L Zhang… - Journal of Alloys and …, 2023 - Elsevier
Layered perovskite oxides, Y 1–x Bi x BaCo 2 O 5+ δ (YBBCx, x= 0.0–0.2) were investigated
as cathodes for intermediate-temperature solid oxide fuel cells (IT-SOFCs). XRD results …

A review of modeling and simulation techniques across the length scales for the solid oxide fuel cell

KN Grew, WKS Chiu - Journal of Power Sources, 2012 - Elsevier
Recent advances in computational techniques have allowed the application of
computational tools to study heterogeneous functional materials (HeteroFoaMs) in the solid …

Ab initio calculation of the attempt frequency of oxygen diffusion in pure and samarium doped ceria

J Koettgen, T Zacherle, S Grieshammer… - Physical Chemistry …, 2017 - pubs.rsc.org
The rate of oxygen ion jumps in a solid oxide depends not only on the activation energy but
also on the pre-exponential factor of diffusion. In order to allow a fully ab initio prediction of …

Thermodynamics and kinetics of the interaction of carbon and sulfur with solid oxide fuel cell anodes

GJ Offer, J Mermelstein, E Brightman… - Journal of the …, 2009 - Wiley Online Library
Fuel cells are likely to play a key role in any low‐carbon economy. Solid oxide fuel cells
(SOFCs) are currently capable of sustained and continuous operation on high‐purity fuels …

Economic evaluation with uncertainty analysis using a Monte-Carlo simulation method for hydrogen production from high pressure PEM water electrolysis in Korea

B Lee, J Heo, NH Choi, C Moon, S Moon… - International journal of …, 2017 - Elsevier
Economic analysis with uncertainty analysis based on a Monte-Carlo simulation method
was performed for hydrogen production from high pressure PEM water electrolysis targeting …

Rational design of novel cathode materials in solid oxide fuel cells using first-principles simulations

YM Choi, MC Lin, M Liu - Journal of Power Sources, 2010 - Elsevier
The search for clean and renewable sources of energy represents one of the most vital
challenges facing us today. Solid oxide fuel cells (SOFCs) are among the most promising …

Direct coupling of continuum and kinetic Monte Carlo models for multiscale simulation of electrochemical systems

F Röder, RD Braatz, U Krewer - Computers & Chemical Engineering, 2019 - Elsevier
Electrochemical systems include atomistic processes at electrochemical interfaces and
macroscopic transport processes, which can be modeled using kinetic Monte Carlo (kMC) …