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X-ray absorption spectroscopy study of cobalt mononitride thin films
Gupta, M., Kumar, Y., Tayal, A., Pandey, N., Caliebe, W., & Stahn, J. (2020). X-ray absorption spectroscopy study of cobalt mononitride thin films. SN Applied Sciences, 2, 41 (11 pp.). https://doi.org/10.1007/s42452-019-1808-2
Probing the active sites of MoS<sub>2</sub> based hydrotreating catalysts using modulation excitation spectroscopy
Gaur, A., Hartmann Dabros, T. M., Høj, M., Boubnov, A., Prüssmann, T., Jelic, J., … Grunwaldt, J. D. (2019). Probing the active sites of MoS2 based hydrotreating catalysts using modulation excitation spectroscopy. ACS Catalysis, 9(3), 2568-2579. https://doi.org/10.1021/acscatal.8b04778
Molecular-level understanding of support effects on the regenerability of Ru-based catalysts in the sulfur-poisoned methanation reaction
Kuzmenko, D., Nachtegaal, M., Copéret, C., & Schildhauer, T. J. (2019). Molecular-level understanding of support effects on the regenerability of Ru-based catalysts in the sulfur-poisoned methanation reaction. Journal of Catalysis, 375, 74-80. https://doi.org/10.1016/j.jcat.2019.04.019
Impact of finite-temperature and condensed-phase effects on theoretical X-ray absorption spectra of transition metal complexes
Müller, P., Karhan, K., Krack, M., Gerstmann, U., Schmidt, W. G., Bauer, M., & Kühne, T. D. (2019). Impact of finite-temperature and condensed-phase effects on theoretical X-ray absorption spectra of transition metal complexes. Journal of Computational Chemistry, 40(5), 712-716. https://doi.org/10.1002/jcc.25641
Oxidation state and dielectric properties of ceria-based catalysts by complementary microwave cavity perturbation and X-ray absorption spectroscopy measurements
Steiner, C., Gänzler, A. M., Zehentbauer, M., Hagen, G., Casapu, M., Müller, S., … Moos, R. (2019). Oxidation state and dielectric properties of ceria-based catalysts by complementary microwave cavity perturbation and X-ray absorption spectroscopy measurements. Topics in Catalysis, 62(1-4), 227-236. https://doi.org/10.1007/s11244-018-1110-3
Understanding the superior stability of single‐molecule magnets on an oxide film
Studniarek, M., Wäckerlin, C., Singha, A., Baltic, R., Diller, K., Donati, F., … Dreiser, J. (2019). Understanding the superior stability of single‐molecule magnets on an oxide film. Advanced Science, 1901736 (9 pp.). https://doi.org/10.1002/advs.201901736
The influence of nitrogen doping on the electronic structure of the valence and conduction band in TiO<sub>2</sub>
Wojtaszek, K., Wach, A., Czapla-Masztafiak, J., Tyrala, K., Sá, J., Yıldız Özer, L., … Szlachetko, J. (2019). The influence of nitrogen doping on the electronic structure of the valence and conduction band in TiO2. Journal of Synchrotron Radiation, 26(1), 145-151. https://doi.org/10.1107/S1600577518016685
A living-dead magnetic layer at the surface of ferrimagnetic DyTiO<sub>3</sub> thin films
Aeschlimann, R., Preziosi, D., Scheiderer, P., Sing, M., Valencia, S., Santamaria, J., … Bibes, M. (2018). A living-dead magnetic layer at the surface of ferrimagnetic DyTiO3 thin films. Advanced Materials, 30(29), 1707489 (8 pp.). https://doi.org/10.1002/adma.201707489
Tuning the Pt/CeO&lt;sub&gt;2&lt;/sub&gt; interface by in situ variation of the Pt particle size
Gänzler, A. M., Casapu, M., Maurer, F., Störmer, H., Gerthsen, D., Ferré, G., … Grunwaldt, J. D. (2018). Tuning the Pt/CeO2 interface by in situ variation of the Pt particle size. ACS Catalysis, 8(6), 4800-4811. https://doi.org/10.1021/acscatal.8b00330
Highly active nanoperovskite catalysts for oxygen evolution reaction: insights into activity and stability of Ba&lt;sub&gt;0.5&lt;/sub&gt;Sr&lt;sub&gt;0.5&lt;/sub&gt;Co&lt;sub&gt;0.8&lt;/sub&gt;Fe&lt;sub&gt;0.2&lt;/sub&gt;O&lt;sub&gt;2+δ&lt;/sub&gt; and P
Kim, B. J., Cheng, X., Abbott, D. F., Fabbri, E., Bozza, F., Graule, T., … Schmidt, T. J. (2018). Highly active nanoperovskite catalysts for oxygen evolution reaction: insights into activity and stability of Ba0.5Sr0.5Co0.8Fe0.2O2+δ and PrBaCO2O5+δ. Advanced Functional Materials, 28(45), 1804355 (10 pp.). https://doi.org/10.1002/adfm.201804355
Experimental and theoretical study of hydrogen desorption process from Mn(BH&lt;sub&gt;4&lt;/sub&gt;)&lt;sub&gt;2&lt;/sub&gt;
Pankin, I. A., Guda, A. A., Tumanov, N. A., Filinchuk, Y., Lomachenko, K. A., Bugaev, A. L., … Soldatov, A. V. (2018). Experimental and theoretical study of hydrogen desorption process from Mn(BH4)2. Journal of Alloys and Compounds, 735, 277-284. https://doi.org/10.1016/j.jallcom.2017.11.062
Combining SAXS and XAS to study the &lt;em&gt;operando &lt;/em&gt;degradation of carbon-supported Pt-nanoparticle fuel cell catalysts
Povia, M., Herranz, J., Binninger, T., Nachtegaal, M., Diaz, A., Kohlbrecher, J., … Schmidt, T. J. (2018). Combining SAXS and XAS to study the operando degradation of carbon-supported Pt-nanoparticle fuel cell catalysts. ACS Catalysis, 8(8), 7000-7015. https://doi.org/10.1021/acscatal.8b01321
Structure of the Co<sup>I</sup> intermediate of a cobalt pentapyridyl catalyst for hydrogen evolution revealed by time-resolved X-ray spectroscopy
Smolentsev, G., Soldatov, M. A., Probst, B., Bachmann, C., Azzaroli, N., Alberto, R., … van Bokhoven, J. A. (2018). Structure of the CoI intermediate of a cobalt pentapyridyl catalyst for hydrogen evolution revealed by time-resolved X-ray spectroscopy. ChemSusChem, 11(18), 3087-3091. https://doi.org/10.1002/cssc.201801140
Electronic and structural dynamics during the switching of the photomagnetic complex [Fe(L<sub>222</sub>N<sub>5</sub>)(CN)<sub>2</sub>]
Zerdane, S., Collet, E., Dong, X., Matar, S. F., Wang, H. F., Desplanches, C., … Cammarata, M. (2018). Electronic and structural dynamics during the switching of the photomagnetic complex [Fe(L222N5)(CN)2]. Chemistry: A European Journal, 24(20), 5064-5069. https://doi.org/10.1002/chem.201704746
Analysis of the U L&lt;sub&gt;3&lt;/sub&gt;-edge X-ray absorption spectra in UO&lt;sub&gt;2&lt;/sub&gt; using molecular dynamics simulations
Bocharov, D., Chollet, M., Krack, M., Bertsch, J., Grolimund, D., Martin, M., … Kotomin, E. (2017). Analysis of the U L3-edge X-ray absorption spectra in UO2 using molecular dynamics simulations. Progress in Nuclear Energy, 94, 187-193. https://doi.org/10.1016/j.pnucene.2016.07.017
Time-resolved element-selective probing of charge carriers in solar materials
Budarz, J., Santomauro, F. G., Rittmann-Frank, M. H., Milne, C. J., Huthwelker, T., Grolimund, D., … Chergui, M. (2017). Time-resolved element-selective probing of charge carriers in solar materials. Chimia, 71(11), 766-772. https://doi.org/10.2533/chimia.2017.768
Genesis of a Co-salicylaldimine complex on silica followed in situ by FTIR and XAS
Ferri, D., Gaur, A., & Grunwaldt, J. D. (2017). Genesis of a Co-salicylaldimine complex on silica followed in situ by FTIR and XAS. ChemPhysChem, 18(20), 2835-2839. https://doi.org/10.1002/cphc.201700550
Atomic scale modeling of iron-doped biphasic calcium phosphate bioceramics
Gomes, S., Kaur, A., Grenèche, J. M., Nedelec, J. M., & Renaudin, G. (2017). Atomic scale modeling of iron-doped biphasic calcium phosphate bioceramics. Acta Biomaterialia, 50, 78-88. https://doi.org/10.1016/j.actbio.2016.12.011
Localization and speciation of iron impurities within a fluid catalytic cracking catalyst
Ihli, J., Ferreira Sanchez, D., Jacob, R. R., Cuartero, V., Mathon, O., Krumeich, F., … van Bokhoven, J. A. (2017). Localization and speciation of iron impurities within a fluid catalytic cracking catalyst. Angewandte Chemie International Edition, 56(45), 14031-14035. https://doi.org/10.1002/anie.201707154
Unraveling Thermodynamics, Stability, and Oxygen Evolution Activity of Strontium Ruthenium Perovskite Oxide
Kim, B. J., Abbott, D. F., Cheng, X., Fabbri, E., Nachtegaal, M., Bozza, F., … Schmidt, T. J. (2017). Unraveling Thermodynamics, Stability, and Oxygen Evolution Activity of Strontium Ruthenium Perovskite Oxide. ACS Catalysis, 7(5), 3245-3256. https://doi.org/10.1021/acscatal.6b03171