Home > Publications database > (Nd/Pr) 2 NiO 4+δ : Reaction Intermediates and Redox Behavior Explored by in Situ Neutron Powder Diffraction during Electrochemical Oxygen Intercalation > print

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024 7 _ |a 10.1021/acs.inorgchem.8b00393
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100 1 _ |a Ceretti, Monica
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245 _ _ |a (Nd/Pr) 2 NiO 4+δ : Reaction Intermediates and Redox Behavior Explored by in Situ Neutron Powder Diffraction during Electrochemical Oxygen Intercalation
260 _ _ |a Washington, DC
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|b American Chemical Society
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520 _ _ |a Oxygen intercalation/deintercalation in Pr2NiO4+δ and Nd2NiO4+δ was followed by in situ by neutron powder diffraction during the electrochemical oxidation/reduction reaction, in a dedicated reaction cell at room temperature. Three phases were identified for both systems: orthorhombic RE2NiO4.23, obtained by classical solid-state reaction, gets reduced in a 2-phase reaction step to a tetragonal intermediate phase RE2NiO4+δ with 0.07 ≤ δ ≤ 0.10, which again transforms on further reduction in a 2-phase reaction step towards the stoichiometric RE2NiO4.0. Electrochemical oxidation does not proceed fully reversibly for both cases: while the re-oxidation of Nd2NiO4+δ is limited to the tetragonal intermediate phase with δ = 0.10, the homologous Pr2NiO4+δ can be re-oxidized up to δ = 0.17, showing orthorhombic symmetry. For the tetragonal Pr2NiO4.12 phase, we were able to establish a complex anharmonic displacement behavior as analyzed by single crystal neutron diffraction and Maximum Entropy Analysis, in agreement with a low-T diffusion pathway for oxygen ions activated by lattice dynamics.
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700 1 _ |a Wahyudi, Olivia
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700 1 _ |a André, Gilles
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700 1 _ |a Villesuzanne, Antoine
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700 1 _ |a Paulus, Werner
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773 _ _ |a 10.1021/acs.inorgchem.8b00393
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