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Issue 12, 2011
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Quantum-mechanics-based design principles for solid oxide fuel cell cathode materials

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Abstract

Low oxide ion conductivity in perovskite-type transition metal oxides is one of the major problems with solid oxide fuel cells (SOFCs). Here, simple quantum mechanical analyses of LaMO3 (M = Cr, Mn, Fe, Co) materials provide new insights into what drives the relative ease of formation of oxygen vacancies, which is a prerequisite for and predictor of oxide ion bulk diffusion. From our results, we derive design principles based on easily measurable or computable properties to improve SOFC cathode materials.

Graphical abstract: Quantum-mechanics-based design principles for solid oxide fuel cell cathode materials

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Publication details

The article was received on 15 Aug 2011, accepted on 28 Sep 2011 and first published on 17 Oct 2011


Article type: Communication
DOI: 10.1039/C1EE02377B
Citation: Energy Environ. Sci., 2011,4, 4933-4937
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    Quantum-mechanics-based design principles for solid oxide fuel cell cathode materials

    M. Pavone, A. M. Ritzmann and E. A. Carter, Energy Environ. Sci., 2011, 4, 4933
    DOI: 10.1039/C1EE02377B

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