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000859489 1001_ $$00000-0001-9704-8251$$aCeretti, Monica$$b0$$eCorresponding author
000859489 245__ $$a(Nd/Pr) 2 NiO 4+δ : Reaction Intermediates and Redox Behavior Explored by in Situ Neutron Powder Diffraction during Electrochemical Oxygen Intercalation
000859489 260__ $$aWashington, DC$$bAmerican Chemical Society$$c2018
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000859489 520__ $$aOxygen intercalation/deintercalation in Pr2NiO4+δ and Nd2NiO4+δ was followed by in situ by neutron powder diffraction during the electrochemical oxidation/reduction reaction, in a dedicated reaction cell at room temperature. Three phases were identified for both systems: orthorhombic RE2NiO4.23, obtained by classical solid-state reaction, gets reduced in a 2-phase reaction step to a tetragonal intermediate phase RE2NiO4+δ with 0.07 ≤ δ ≤ 0.10, which again transforms on further reduction in a 2-phase reaction step towards the stoichiometric RE2NiO4.0. Electrochemical oxidation does not proceed fully reversibly for both cases: while the re-oxidation of Nd2NiO4+δ is limited to the tetragonal intermediate phase with δ = 0.10, the homologous Pr2NiO4+δ can be re-oxidized up to δ = 0.17, showing orthorhombic symmetry. For the tetragonal Pr2NiO4.12 phase, we were able to establish a complex anharmonic displacement behavior as analyzed by single crystal neutron diffraction and Maximum Entropy Analysis, in agreement with a low-T diffusion pathway for oxygen ions activated by lattice dynamics.
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000859489 7001_ $$0P:(DE-HGF)0$$aWahyudi, Olivia$$b1
000859489 7001_ $$0P:(DE-HGF)0$$aAndré, Gilles$$b2
000859489 7001_ $$0P:(DE-Juel1)164297$$aMeven, Martin$$b3$$ufzj
000859489 7001_ $$0P:(DE-HGF)0$$aVillesuzanne, Antoine$$b4
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000859489 773__ $$0PERI:(DE-600)1484438-2$$a10.1021/acs.inorgchem.8b00393$$gVol. 57, no. 8, p. 4657 - 4666$$n8$$p4657 - 4666$$tInorganic chemistry$$v57$$x1520-510X$$y2018
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