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Atomistic Modeling of Effect of Mg on Oxygen Vacancy Diffusion in α‐Alumina

https://doi.org/10.1111/jace.13008
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30/30 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.

1 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 30 checked references that resolve
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Oxygen and aluminum diffusion in α-Al2O3: How much do we really understand?
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Defect energetics in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>α</mml:mi></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">Al</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></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">O</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>and rutile Ti<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>
resolves10.1080/01418619308213992
Defect energies for pure corundum and for corundum doped with transition metal ions
resolves10.1080/095008399177002
Oxygen self-diffusion in corundum (alpha-Al2O3): A conundrum
resolves10.1016/S1359-6454(98)00256-0
The defect chemistry of sapphire (α-Al2O3)
resolves10.1103/PhysRevB.68.085110
First-principles calculations of intrinsic defects in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Al</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>
resolves10.1016/j.actamat.2009.06.061
Oxygen vacancy diffusion in alumina: New atomistic simulation methods applied to an old problem
resolves10.1111/j.1151-2916.1982.tb09944.x
Oxygen Diffusion in Sapphire
resolves10.1111/j.1151-2916.1989.tb06049.x
Lattice Diffusion Kinetics in Undoped and Impurity‐Doped Sapphire (α‐Al <sub>2</sub> O <sub>3</sub> ): A Dislocation Loop Annealing Study
resolves10.1111/j.1151-2916.1989.tb09699.x
Oxygen Self‐Diffusion in Magnesium‐ or Titanium‐Doped Alumina Single Crystals
resolves10.1016/j.actamat.2004.09.038
Dopant effect on grain boundary diffusivity in polycrystalline alumina
resolves10.1016/j.actamat.2007.08.016
Yttrium doping effect on oxygen grain boundary diffusion in α-Al2O3
resolves10.1016/j.actamat.2011.05.018
Oxygen permeability in cation-doped polycrystalline alumina under oxygen potential gradients at high temperatures
resolves10.1111/j.1151-2916.2003.tb03340.x
Experiment and Theory of Diffusion in Alumina
resolves10.1111/j.1151-2916.1996.tb07997.x
Grain Growth in CeO <sub>2</sub> : Dopant Effects, Defect Mechanism, and Solute Drag
resolves10.1021/cm102809t
Structural Disorder in Doped Zirconias, Part II: Vacancy Ordering Effects and the Conductivity Maximum.
resolves10.1039/c0cp02062a
A DFT+U study of defect association and oxygen migration in samarium-doped ceria
resolves10.1016/j.jssc.2011.02.004
Kinetic lattice Monte Carlo model for oxygen vacancy diffusion in praseodymium doped ceria: Applications to materials design
resolves10.1103/PhysRevB.73.134112
EPR<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>g</mml:mi></mml:mrow></mml:math>-tensor of paramagnetic centers in yttria-stabilized zirconia from first-principles calculations
resolves10.1103/PhysRevB.78.094301
Vacancy-vacancy interaction and oxygen diffusion in stabilized cubic<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>ZrO</mml:mtext></mml:mrow><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math>from first principles
resolves10.1142/9789812839664_0016
Nudged elastic band method for finding minimum energy paths of transitions
resolves10.1073/pnas.202427399
Escaping free-energy minima
resolves10.1103/PhysRev.112.90
Theory of the Dielectric Constants of Alkali Halide Crystals
resolves10.1088/0022-3719/18/6/010
Potential models for ionic oxides
resolves10.1142/S0217984997001390
Crystal Structures and Peculiar Magnetic Properties of α- and γ-<font>Al<sub>2</sub>O</font><sub>3</sub> Powders
resolves10.1080/0892702031000104887
The General Utility Lattice Program (<scp>GULP</scp>)
resolves10.1107/S0021889807016032
Pair distribution functions calculated from interatomic potential models using the<i>General Utility Lattice Program</i>
resolves10.1103/PhysRevLett.93.225502
First Principles Analysis of the Stability and Diffusion of Oxygen Vacancies in Metal Oxides
resolves10.1103/PhysRevB.87.214105
Density functional calculation of activation energies for lattice and grain boundary diffusion in alumina
resolves10.1021/jp407886f
Adsorbate-Induced Oxygen Vacancy Mobility in Ultrathin Oxide Films
The 1 reference without a DOI — listed, not checked
no DOI — not checkedComputational Modelling of Zinc Oxide and Related Oxide Ceramics.
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