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Both cationic and anionic redox chemistry in a P2-type sodium layered oxide
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Alkaline-stable anion exchange membranes: A review of synthetic approaches
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The effect of lanthanoid defects on anionic solvation of Li in Li6.5La2+xZr1.5Ta0.5O12 from x = 0 to x = 1.2 garnet
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The impact of chemistry on anion migration in bixbyite-structured lanthanide oxides
This manuscript describes atomistic calculations of oxygen vacancy and interstitial migration in bixbyite structured lanthanide oxides. We examine two types of compounds, one in which only one type of lanthanide cation is present and a second class in which two lanthanides are present in a 3:1 ratio as dictated by the symmetry of the bixbyite crystal structure. Using temperature accelerated dynamics and the nudged elastic band method, we quantify the role of chemistry on the energy barriers for the most important pathways for both vacancy and interstitial migration. We then analyze the impact of these variations on the overall diffusivity of each defect, quantifying the contribution of each pathway using the theory of kinosons. We find that vacancy mobility can vary by as much as three orders of magnitude through changes in chemistry at 500 K. Changes in interstitial mobility are more modest but can still vary by an order of magnitude. This points to the ability to tune the mass transport characteristics of these compounds through appropriate choices in chemistry. We have also included supplementary information containing the atomic structures of the relevant pathways.
Double tailed scorpiand-type calix[10]phyrin: Synthesis and proton-driven anion recognition features
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The Effect of Anion Bridging on Heterogeneous Charge Transfer for V[superscript 2+]/V[superscript 3+
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Lessons learned from FeSb2O4 on stereoactive lone pairs as a design principle for anion insertion
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Chemical Design of IrS[subscript 2] Polymorphs to Understand the Charge/Discharge Asymmetry in Anion
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