Hydrogen in oxides : first principles and experimental studies of incorporation, complex formation, exotic species, and transport properties

Bjørheim, Tor Svendsen
Doctoral thesis
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Year
2012
Permanent link
http://urn.nb.no/URN:NBN:no-33591

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Abstract
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List of papers
Paper 1 A combined conductivity and DFT study of protons in PbZrO3 and alkaline earth zirconate perovskites. T. S. Bjørheim, A. Kuwabara, I. Ahmed, R. Haugsrud, S. Stølen and T. Norby. Solid State Ionics, 181, 2010, 130. The paper is removed from the thesis in DUO due to publisher restrictions. The published version is available at: https://doi.org/10.1016/j.ssi.2009.04.013
Paper 2 Hydration and proton conductivity in LaAsO4. T. S. Bjørheim, T. Norby and R. Haugsrud. Journal of Materials Chemistry, 22, 2012, 1652. The paper is removed from the thesis in DUO due to publisher restrictions. The published version is available at: https://doi.org/10.1039/c1jm14192a
Paper 3 Hydration thermodynamics of pyrochlore structured oxides from TG and first principles calculations. T. S. Bjørheim, V. Besikiotis and R. Haugsrud. Dalton Transactions, 41, 2012, 13343 The paper is removed from the thesis in DUO due to publisher restrictions. The published version is available at: https://doi.org/10.1039/c2dt31517c
Paper 4 Hydration of Rutile TiO2: Thermodynamics and Effects on n- and p-Type Electronic Conduction. S. Erdal, C. Kongshaug, T. S. Bjørheim, N. Jalarvo, R. Haugsrud and T. Norby. Journal of Physical Chemistry C, 114, 2010, 9139. The paper is removed from the thesis in DUO due to publisher restrictions. The published version is available at: https://doi.org/10.1021/jp101886a
Paper 5 Defect chemistry of rutile TiO2 from first principles calculations. T. S. Bjørheim, A. Kuwabara and T. Norby. Submitted, Journal of Physical Chemistry C, 2012. Accepted Manuscript, Publication Date (Web): February 13, 2013. The paper is removed from the thesis in DUO due to publisher restrictions. The published version is available at: https://doi.org/10.1021/jp304146e
Paper 6 Defects at the (1 1 0) surface of rutile TiO2 from ab initio calculations. T. S. Bjørheim, A. Kuwabara, C. E. Mohn and T. Norby. International Journal of Hydrogen Energy, 37, 2012, 8110. The paper is removed from the thesis in DUO due to publisher restrictions. The published version is available at: https://doi.org/10.1016/j.ijhydene.2011.12.165
Paper 7 H and Li related defects in ZnO and their effect on electrical properties. T. S. Bjørheim, S. Erdal, K. M. Johansen, K. E. Knutsen and T. Norby. Journal of Physical Chemistry C, 116, 2012, pp 23764–23772. The paper is removed from the thesis in DUO due to publisher restrictions. The published version is available at: https://doi.org/10.1021/jp307835c