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 …

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 …

Formation and migration of oxygen vacancies in La 1− x Sr x Co 1− y Fe y O 3− δ perovskites: insight from ab initio calculations and comparison with Ba 1− x Sr x Co 1 …

YA Mastrikov, R Merkle, EA Kotomin… - Physical chemistry …, 2013 - pubs.rsc.org
The formation and migration of oxygen vacancies in the series of (La, Sr)(Co, Fe) O3− δ
perovskites, which can be used as mixed conducting SOFC cathode materials and oxygen …

Synergistically enhanced oxygen evolution reaction catalysis for multielement transition-metal oxides

I Yamada, A Takamatsu, K Asai, H Ohzuku… - ACS Applied Energy …, 2018 - ACS Publications
Transition metal oxides have been extensively investigated as novel catalysts for oxygen
evolution reaction (OER). Partial elemental substitutions are effective ways to increase …

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 …

The ionic conductivity of Sm‐doped ceria

J Koettgen, M Martin - Journal of the American Ceramic Society, 2020 - Wiley Online Library
The oxygen ion conductivity of polycrystalline samples of Sm‐doped ceria and of Gd‐doped
ceria is studied as a function of do** fraction and temperature using impedance …

Limits to the rate of oxygen transport in mixed-conducting oxides

RA De Souza - Journal of Materials Chemistry A, 2017 - pubs.rsc.org
The processes of oxygen tracer diffusion and oxygen surface exchange in acceptor-doped
oxides displaying high rates of oxygen transport are examined. Literature data are analysed …

Layered antiferromagnetic ordering in the most active perovskite catalysts for the oxygen evolution reaction

T Lim, JW Niemantsverdriet, J Gracia - ChemCatChem, 2016 - Wiley Online Library
We have performed an in‐depth ab initio study of the magnetic structure within the most
active perovskites for the oxygen evolution reaction. In all cases, the ground state exhibits an …

Ab initio calculation of the migration free energy of oxygen diffusion in pure and samarium-doped ceria

J Koettgen, PC Schmidt, T Bučko, M Martin - Physical Review B, 2018 - APS
We have studied the free energy migration barriers Δ F‡ for oxygen diffusion in pure ceria
and Sm-doped ceria for the temperatures 300, 700, and 1000 K. We used the density …

Mechanisms of atomic motion through crystalline GeTe

VL Deringer, M Lumeij, RP Stoffel… - Chemistry of …, 2013 - ACS Publications
Germanium telluride (GeTe) is an iconic functional material, both in itself and as the parent
compound for a range of ternary phase-change data-storage alloys. Long taken to be a …