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Issue 9, 2011
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Role of metal oxide support in redox reactions of iron oxide for chemical looping applications: experiments and density functional theory calculations

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Abstract

Aided by an oxygen carrier such as iron oxide, the chemical looping process can convert carbonaceous fuels while effectively capturing CO2. Previous experimental studies indicate that adding TiO2 support to iron oxide can notably improve the reactivity of iron oxide over multiple redox cycles, making it more suitable for chemical looping applications. In this study, wüstite (Fe1−xO) was used to represent pure iron(II) oxide and ilmenite (FeTiO3) was used to represent TiO2 supported iron(II) oxide. The underlying mechanisms for the improved iron oxide performance with TiO2 support are investigated through experiments and periodic Density Functional Theory (DFT) calculations. Both experimental and DFT studies indicate that TiO2 support is unlikely to reduce the activation energy for the reduction of iron(II) oxide. The support, however, can significantly lower the energy barrier for O2− migration within the dense solid phase, thereby enhancing the O2− diffusivity. The good agreements between experiments and DFT calculations confirm that the improved reactivity and recyclability of TiO2 supported iron oxide particles are likely to result from the significantly enhanced O2− diffusivity with the presence of support.

Graphical abstract: Role of metal oxide support in redox reactions of iron oxide for chemical looping applications: experiments and density functional theory calculations

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Publication details

The article was received on 20 Mar 2011, accepted on 24 Jun 2011 and first published on 01 Aug 2011


Article type: Paper
DOI: 10.1039/C1EE01325D
Citation: Energy Environ. Sci., 2011,4, 3661-3667

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    Role of metal oxide support in redox reactions of iron oxide for chemical looping applications: experiments and density functional theory calculations

    F. Li, S. Luo, Z. Sun, X. Bao and L. Fan, Energy Environ. Sci., 2011, 4, 3661
    DOI: 10.1039/C1EE01325D

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