In situ neutron diffraction on the formation of perovskite-type La1-xYxTa(O,N)3
As shown by optical band gap determinations (DRS) and surface photovoltage spectroscopy (SPV) measurements the materials La1-xYxTaO2N (x=0,0.1,1) have suitable band gaps (1.7-2.1 eV) and charge separation abilities for direct solar water splitting (SWS). Therefore, these materials are interesting for n-type semiconducting photoanodes in a SWS process. The controlled variation of the Y-content allows to adjust the energetic position of the conduction band minimum to the SWS redox potential and hence the band gap. The well-known synthesis for LaTaON2, containing Ta5+, starts from microcrystalline La2O3/Ta2O5 mixtures or LaTaO4. In contrast, the usage of a nanocrystalline LaTaO4 precursor resulted in the formation of LaTaO2N containing mainly Ta4+ according to XPS and XAS. However, the basic mechanism behind leading to these differing reaction products is still not fully resolved. The combination of in situ thermal analysis and neutron diffraction (ND) will be used to gain a deeper insight in the reaction mechanisms and the involved intermediates, in the end leading to fundamental understanding on the correlations between the crystal structure changes and solar water splitting.
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WIDENMEYER Marc; BAEUCKER Christian Arno; BUBECK Cora Maren; Thomas C. Hansen; KUNKEL Sebastian; LINK Lukas; NIEWA Rainer; WEIDENKAFF Anke and Songhak Yoon. (2019). In situ neutron diffraction on the formation of perovskite-type La1-xYxTa(O,N)3. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.5-23-720
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