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First principles investigations of structure, stability and electronic properties of polar Ca2Fe2O5(0 1 0) surfaces
44/44 checkable references clean · checked 2026-07-23
Every reference with a DOI in the deposited reference list resolved to a known work in Crossref or DataCite at the dated check, and none carried a retraction, withdrawal, or removal notice.
4 without a DOI — not checked. A reference deposited without a DOI is never matched by title or guessed at; it stays outside the checked set, and this line discloses that.
The 44 checked references that resolve
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Photoinduced structural transformation of SrFeO3 and Ca2Fe2O5 during photodegradation of methyl orange
resolves10.1021/ja506254g
Ca<sub>2</sub>Mn<sub>2</sub>O<sub>5</sub> as Oxygen-Deficient Perovskite Electrocatalyst for Oxygen Evolution Reaction
resolves10.1063/1.4985157
Origin of OER catalytic activity difference of oxygen-deficient perovskites A2Mn2O5 (A = Ca, Sr): A theoretical study
resolves10.1002/cssc.201700499
Brownmillerite‐type Ca<sub>2</sub>FeCoO<sub>5</sub> as a Practicable Oxygen Evolution Reaction Catalyst
resolves10.1021/acsami.6b11718
Nitrogen Doping in Oxygen-Deficient Ca<sub>2</sub>Fe<sub>2</sub>O<sub>5</sub>: A Strategy for Efficient Oxygen Reduction Oxide Catalysts
resolves10.1021/acsomega.7b01655
Cobalt-Doped Ba<sub>2</sub>In<sub>2</sub>O<sub>5</sub> Brownmillerites: An Efficient Electrocatalyst for Oxygen Reduction in Alkaline Medium
resolves10.1021/cm0477117
Photocatalytic Water Splitting with the Cr-Doped Ba<sub>2</sub>In<sub>2</sub>O<sub>5</sub>/In<sub>2</sub>O<sub>3</sub> Composite Oxide Semiconductors
resolves10.1246/cl.180758
Water Splitting over Ba<sub>2</sub>In<sub>2</sub>O<sub>5</sub> Photocatalysts with a Brownmillerite Structure and the Effect of La-substitution on Its Band Structure and Photocatalytic Activities
resolves10.1016/j.electacta.2003.10.014
Mixed oxides Ca2Fe2O5 and Ca2Co2O5 as anode materials for Li-ion batteries
resolves10.1016/j.jssc.2010.05.016
p-Type thermoelectric properties of the oxygen-deficient perovskite Ca2Fe2O5 in the brownmillerite structure
resolves10.1016/j.ijhydene.2010.06.048
Electrode properties of Co-doped Ca2Fe2O5 as new cathode materials for intermediate-temperature SOFCs
resolves10.1021/jacs.6b10697
Polar Oxides without Inversion Symmetry through Vacancy and Chemical Order
resolves10.1103/PhysRevB.100.220103
Diversity of structural phases and resulting control of properties in brownmillerite oxides: A first-principles study
resolves10.1016/j.ijhydene.2015.01.067
Structural and electrical characterization of the Co-doped Ca2Fe2O5 brownmillerite: Evaluation as SOFC -cathode materials
resolves10.1021/acsomega.8b02468
Bifunctional Oxygen Reduction and Evolution Activity in Brownmillerites Ca<sub>2</sub>Fe<sub>(1–<i>x</i>)</sub>Co<sub><i>x</i></sub>O<sub>5</sub>
resolves10.1016/S0025-5408(99)00007-0
A neutron diffraction study of the temperature dependence of Ca2Fe2O5
resolves10.1016/j.jssc.2009.03.027
High-temperature structural phase transition in studied by in-situ X-ray diffraction and transmission electron microscopy
resolves10.1021/acsaem.8b00934
Investigation of p-type Ca<sub>2</sub>Fe<sub>2</sub>O<sub>5</sub> as a Photocathode for Use in a Water Splitting Photoelectrochemical Cell
resolves10.1016/j.apenergy.2017.11.005
Ca2Fe2O5: A promising oxygen carrier for CO/CH4 conversion and almost-pure H2 production with inherent CO2 capture over a two-step chemical looping hydrogen generation process
resolves10.1103/PhysRevB.92.174111
Crystal structure and electronic properties of bulk and thin film brownmillerite oxides
resolves10.1021/acs.chemmater.5b02885
Magnetite Fe<sub>3</sub>O<sub>4</sub> (111) Surfaces: Impact of Defects on Structure, Stability, and Electronic Properties
resolves10.1103/PhysRevB.74.035409
First-principles study of the polar (111) surface of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mi mathvariant="normal">Fe</mml:mi><mml:mn>3</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>4</mml:mn></mml:msub></mml:mrow></mml:math>
resolves10.1103/PhysRevLett.94.126101
Jahn-Teller Stabilization of a “Polar” Metal Oxide Surface:<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>Fe</mml:mi><mml:mn>3</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>4</mml:mn></mml:msub><mml:mo stretchy="false">(</mml:mo><mml:mn>001</mml:mn><mml:mo stretchy="false">)</mml:mo></mml:math>
resolves10.1021/acscatal.9b01485
Surface Structure of Co<sub>3</sub>O<sub>4</sub> (111) under Reactive Gas-Phase Environments
resolves10.1103/PhysRevLett.81.1038
The Hematite ( α- Fe2O3) (0001) Surface: Evidence for Domains of Distinct Chemistry
resolves10.1103/PhysRevB.68.035418
Stability and electronic structure of the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mo>(</mml:mo><mml:mn>1</mml:mn><mml:mn/><mml:mo>×</mml:mo><mml:mn>1</mml:mn><mml:mo>)</mml:mo></mml:math><mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">SrTiO</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mn/><mml:mo>(</mml:mo><mml:mn>110</mml:mn><mml:mo>)</mml:mo><mml:mn/></mml:math>polar surfaces by first-principles calculations
resolves10.1021/jp0658997
First-Principles Investigation of Stability and Structural Properties of the BaTiO<sub>3</sub> (110) Polar Surface
resolves10.1088/1361-648X/aa8f79
Advanced capabilities for materials modelling with Q
<scp>uantum</scp>
ESPRESSO
resolves10.1103/PhysRevB.41.7892
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
resolves10.1103/PhysRevB.71.035105
Linear response approach to the calculation of the effective interaction parameters in the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>LDA</mml:mi><mml:mo>+</mml:mo><mml:mi mathvariant="normal">U</mml:mi></mml:mrow></mml:math>method
resolves10.1088/0953-8984/19/9/096011
Oxygen adsorption on the clean and O-precovered Fe (110) and (100) surfaces
resolves10.1103/PhysRevB.79.094113
Hybrid density functional theory study of the high-pressure polymorphs of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>α</mml:mi><mml:msub><mml:mrow><mml:mtext>-Fe</mml:mtext></mml:mrow><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mtext>O</mml:mtext><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math>hematite
resolves10.1103/PhysRevB.72.125414
Structural and electronic properties of the (100) surface and bulk of alkaline-earth metal oxides
resolves10.1103/PhysRevB.70.125426
<b><i>Ab initio</i></b>study of the (0001) surfaces of hematite and chromia: Influence of strong electronic correlations
resolves10.1007/s00339-003-2433-9
Oxide formation at the surface of late 4d transition metals: insights from first-principles atomistic thermodynamics
resolves10.1103/PhysRevB.56.1625
<b><i>Ab initio</i></b>study of BaTiO<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow/><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>surfaces
resolves10.1016/j.susc.2015.09.005
Structure and stability of clean and adsorbate covered intermetallic PdGa surfaces: A first principles study
resolves10.1107/S1600576714027976
Neutron Laue diffraction study of the complex low-temperature magnetic behaviour of brownmillerite-type Ca<sub>2</sub>Fe<sub>2</sub>O<sub>5</sub>
resolves10.1557/JMR.1994.3121
Energetics in the brownmillerite-perovskite pseudobinary Ca<sub>2</sub>Fe<sub>2</sub>O<sub>5</sub>-CaTiO<sub>3</sub>
The 4 references without a DOI — listed, not checked
no DOI — not checkedA first-principles investigation of the stabilities and electronic properties of SrZrO3 (1 1 0) (1 × 1) polar terminations, Journal of physics
no DOI — not checked10.1016/j.apsusc.2020.146703_b0170
no DOI — not checkedComposition, structure, and stability of RuO2 (110) as a function of oxygen pressure
no DOI — not checkedD. Stull, H. Prophet, JANAF Thermochemical Tables, second ed., U.S. National Bureau of Standards, Washington, D.C.
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