The fluorination reaction of La2NiO4 studied by in situ neutron powder diffraction
The synthesis of new oxyfluorides with Ruddlesden-Popper structure is a current topic in solid state chemistry because of their wide range of different physical properties as well as their possible application as electrode materials in F-ion batteries. Understanding the formation chemistry of oxyfluorides is crucial for accessing new metastable products and for optimizing reaction conditions. By in situ XRD experiments insights into the reaction pathway of the fluorination reaction of La2NiO4 were achieved. The reaction was found to progress through three metastable reaction intermediates with different structures solved from X-ray and neutron powder diffraction. Within this proposal, we will observe the fluorination reaction of La2NiO4 in situ and we plan to obtain reliable reaction time-dependent coordinates and occupation factors for the anionic sub lattice of the reaction intermediates by Rietveld refinements. By this, we aim to derive a reaction mechanism, which we propose to consist of several insertion/substitution steps. In-depth knowledge of the reaction mechanism will enable the targeted synthesis of new, even less stable oxyfluorides in the future.
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The recommended format for citing this dataset in a research publication is in the following format:
JACOBS Jonas; BIVOUR Andy; Stefan G. Ebbinghaus; Thomas C. Hansen; Holger Kohlmann and SIKOLENKO Vadim. (2023). The fluorination reaction of La2NiO4 studied by in situ neutron powder diffraction. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.5-25-283
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