Thermodynamic stability of non-stoichiometric SrFeO3−δ: a hybrid DFT study-Reference-Cited by-同舟云学术

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Thermodynamic stability of non-stoichiometric SrFeO3−δ: a hybrid DFT study

Published:2019 Issue:7 Volume:21 Page:3918-3931
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Heifets Eugene¹²³⁴⁵^ORCID,Kotomin Eugene A.⁶⁷⁸⁹¹⁰^ORCID,Bagaturyants Alexander A.¹²³⁴⁵^ORCID,Maier Joachim⁶⁷⁸^ORCID

Affiliation:

1. Photochemistry Center

2. Federal Research Center “Crystallography and Photonics”

3. Russian Academy of Sciences

4. Moscow

5. Russia

6. Max Planck Institute for Solid State Research

7. Stuttgart 70569

8. Germany

9. Institute for Solid State Physics

10. University of Latvia

Abstract

Stability region for the only stable SrFeO_2.5 phase is drawn as a function of temperature and oxygen gas partial pressure.

Funder

Latvijas Zinātnes Padome

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C8CP07117A

Reference57 articles.

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

2. Voltage and partial pressure dependent defect chemistry in (La,Sr)FeO3−δ thin films investigated by chemical capacitance measurements

3. Ab initio modelling of oxygen vacancies and protonic defects in La1−xSrxFeO3−δ perovskite solid solutions

4. Comparison of Permeation Measurements and Hybrid Density-Functional Calculations on Oxygen Vacancy Transport in Complex Perovskite Oxides

5. Quantitative Comparison of Mixed Conducting SOFC Cathode Materials by Means of Thin Film Model Electrodes

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