Concepedia

Materials design of perovskite solid solutions for thermochemical applications

Josua Vieten, Brendan Bulfin, Patrick Huck, Matthew K. Horton, Dorottya Gubán, Liya Zhu, Youjun Lu, Kristin A. Persson, Martin Roeb, Christian Sattler

Energy & Environmental Science · 2019 · 167 citations · 74 references

DOIFull text

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Concepts

Abstract

Perovskite solid solutions are screened both experimentally and through DFT to determine their redox properties for thermochemical applications.

References

74

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

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Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

Georg Kresse, J. Furthmüller · Physical review. B, Condensed matter · 1996 · 120.5K citations

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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

Georg Kresse, J. Furthmüller · Computational Materials Science · 1996 · 74.7K citations

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Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides

R. D. Shannon · Acta Crystallographica Section A · 1976 · 64.8K citations

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Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

Anubhav Jain, Shyue Ping Ong, Geoffroy Hautier et al. · APL Materials · 2013 · 12.7K citations · Full text

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