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Ni-do** effects on formation and migration of oxygen vacancies in SrFe 1− x Ni x O 3− δ oxygen carriers
T Jia, Y Hao, H Hao, Z Zeng - RSC advances, 2024 - pubs.rsc.org
Ni is a promising B-site do** element capable of improving the oxygen carrier
performance of SrFeO3 perovskite. In this work, the effect of Ni do** on the formation and …
performance of SrFeO3 perovskite. In this work, the effect of Ni do** on the formation and …
Effective Ca2+-do** in Sr1-xCaxFeO3-δ oxygen carriers for chemical loo** air separation: A theoretical and experimental investigation
Perovskite iron oxides are promising oxygen carrying materials due to their effectiveness
and the low cost of iron. The effect of Ca 2+ do** on oxygen ion diffusion in Sr 1-x Ca x …
and the low cost of iron. The effect of Ca 2+ do** on oxygen ion diffusion in Sr 1-x Ca x …
Engineering transport in manganites by tuning local nonstoichiometry in grain boundaries
Interface‐dominated materials such as nanocrystalline thin films have emerged as an
enthralling class of materials able to engineer functional properties of transition metal oxides …
enthralling class of materials able to engineer functional properties of transition metal oxides …
The optimal co-do** of SrFe 1− x Co x O 3− δ oxygen carriers in redox applications
Although the oxygen carrier SrCoO3 has higher redox activity than SrFeO3, cobalt is both
more expensive and scarcer than iron, which would hinder the wide implementation of …
more expensive and scarcer than iron, which would hinder the wide implementation of …
Controlling surface cation segregation in a nanostructured double perovskite GdBaCo 2 O 5+ δ electrode for solid oxide fuel cells
Mechanistic studies, utilizing molecular dynamics (MD) and density functional theory (DFT)
calculations, were undertaken to provide a molecular level explanation of Ba cation …
calculations, were undertaken to provide a molecular level explanation of Ba cation …
Defect Thermodynamics and Transport Properties of Proton Conducting Oxide BaZr1−xYxO3−δ (x ≤ 0.1) Guided by Density Functional Theory Modeling
Density functional theory-based thermodynamic modeling was performed to determine the
effect of humidity and H2/O2 gas pressure on the defect chemistry and transport properties …
effect of humidity and H2/O2 gas pressure on the defect chemistry and transport properties …
Mechanistic insight into oxygen vacancy migration in SrFeO 3− δ from DFT+ U simulations
SrFeO3− δ is known to be an effective oxygen ion conductor and oxygen vacancies are
central to its performance. SrFeO3− δ displays four crystallographic structural transitions as it …
central to its performance. SrFeO3− δ displays four crystallographic structural transitions as it …
Investigation of Sr0.7Ca0.3FeO3 Oxygen Carriers with Variable Cobalt B‐Site Substitution
A‐site and B‐site substitutions are effective methods towards improving well‐studied oxygen
carrier materials that are vital for emerging gasification technologies. Such materials include …
carrier materials that are vital for emerging gasification technologies. Such materials include …
Interplay between defect transport and cation spin frustration in corundum-structured oxides
Despite the fundamental importance of mass transport, there is still a lack of knowledge
regarding the mechanisms in many materials. In particular, how the magnetic spin structure …
regarding the mechanisms in many materials. In particular, how the magnetic spin structure …
Thermodynamic Modeling of Point Defects in Triple Conducting Perovskite Ba0. 95La0. 05FeO3− δ with Incorporation of the Hydride Defect Formation Reaction for …
Distinct from the proton defect, the hydride defect species may be present in certain
perovskite materials in reducing environments such as in fuel electrodes of solid oxide cells …
perovskite materials in reducing environments such as in fuel electrodes of solid oxide cells …