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Ternary cobalt spinel oxides for solar driven hydrogen production: Theory and experiment


Reference:

Walsh, A., Ahn, K. S., Shet, S., Huda, M. N., Deutsch, T. G., Wang, H. L., Turner, J. A., Wei, S. H., Yan, Y. F. and Al-Jassim, M. M., 2009. Ternary cobalt spinel oxides for solar driven hydrogen production: Theory and experiment. Energy & Environmental Science, 2 (7), pp. 774-782.

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Official URL:

http://dx.doi.org/10.1039/b822903a

Abstract

Discovery of a chemically stable, light absorbing and low resistivity metal oxide with band edges aligned to the water redox potentials has been a goal of physical scientists for the past forty years. Despite an immense amount of effort, no solution has been uncovered. We present a combined theoretical and experimental exploration of a series of unconventional ternary cobalt spinel oxides, which offer chemical functionality through substitution on the octahedral spinel B site. First-principles predictions of the substitution of group 13 cations (Al, Ga, In) in Co(3)O(4) to form a series of homologous CoX(2)O(4) spinel compounds are combined with experimental synthesis and photoelectrochemical characterization. Ultimately, while tunable band gaps in the visible range can be obtained, the material performance is limited by poor carrier transport properties associated with small polaron carriers. Future design pathways for metal oxide exploration are discussed.

Details

Item Type Articles
CreatorsWalsh, A., Ahn, K. S., Shet, S., Huda, M. N., Deutsch, T. G., Wang, H. L., Turner, J. A., Wei, S. H., Yan, Y. F. and Al-Jassim, M. M.
DOI10.1039/b822903a
Uncontrolled Keywordswater, visible-light, wave basis-set, coal2o4, films, total-energy calculations, intrinsic defects, transparent, electronic-structure, bivo4
DepartmentsFaculty of Science > Chemistry
RefereedYes
StatusPublished
ID Code24007

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