Fluorescence XAFS study of NaAlH4 doped with a Ce-based precursor
文献信息
Aline Léon, Jörg Rothe, Krzysztof Chłopek, Oleg Zabara, Maximilian Fichtner
NaAlH4 doped with CeCl3 was prepared by ball milling and cycled under hydrogen. As-prepared samples and cycled material were investigated by X-ray absorption spectroscopy in order to elucidate the local structure around Ce atoms in the material. It was found that, in contrast to Ti doped NaAlH4, the oxidation state of the Ce(III) remains constant during preparation and cycling. Moreover, there is no formation of a bimetallic entity consisting of Ce and Al which is the case in Ti doped samples. Rather, the first shell around Ce consists of a strongly distorted Cl coordination polyhedron with a coordination number considerably below that of CeCl3. Al atoms are visible as second next neighbors, which indicates that the ball-milled sample is an intimate mixture between CeClx entities and the alanate host matrix. A steady state seems to have been reached after 8 absorption cycles, and no significant changes of the local Ce coordination environment occur after the 9th desorption.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.














