Investigations of the axial displacements of Co&lt;sup&gt;2+&lt;/sup&gt;and Ni&lt;sup&gt;3+&lt;/sup&gt; in Al&lt;sub&gt;2&lt;/sub&gt;O&lt;sub&gt;3&lt;/sub&gt;

Wu, Shao Yi; Fu, Qiang; Lu, Guang Duo; Yao, Jin-Song

doi:10.4028/www.scientific.net/ddf.261-262.93

Cited by 2 publications

(1 citation statement)

References 43 publications

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“…According to the property of g factors ( g || > g ⊥ or Δ g > 0), the [NiO 6 ] 9– group belongs to a trigonally compressed octahedral low‐spin (S = 1/2) 3d 7 cluster, similar to the case of a tetragonally compressed low‐spin octahedral 3d 7 cluster . Based on the perturbation procedure similar to Lacroix et al, the perturbation formulae of g factors for a trigonally distorted octahedral 3d 7 (Ni 3+ ) cluster can be derived as follows:

\begin{matrix} lefttrue \\ g_{∥} = g_{s} + 2 k^{'} {ζ^{'}}^{2} / E_{1 ∥}^{2} + 4 k^{'} {normalζ}^{'} / E, \\ g_{⊥} = g_{s} + 2 k^{'} {ζ^{'}}^{2} / E_{1 ⊥}^{2} + k ζ / E, \end{matrix}

with

1 / E = 1 / E_{3} + 1 / E_{4} + 0.38 ((), 1 / E_{3} - 1 / E_{4}) .

…”

Section: Theory and Formulaementioning

confidence: 99%

Studies on the local structures for the trigonal Ni³⁺ centers in cathode materials LiAl_yCo_1–yO₂ (y = 0, 0.1, 0.5, and 0.8)

Ding

et al. 2018

Magnetic Reson in Chemistry

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The local angular distortions Δθ are theoretically studied for the various Ni centers in LiAl Co O at different Al concentrations (y = 0, 0.1, 0.5, and 0.8) based on the perturbation calculations of electron paramagnetic resonance g factors for a trigonally distorted octahedral 3d cluster with low spin (S = 1/2). Due to the Jahn-Teller effect, the [NiO ] clusters are found to experience the local angular distortions (Δθ ≈ 5°-9°) along the C axis. The variation trend of Δθ with y is in accordance with that of anisotropy (Δg = g - g ). As the substitutions can weaken bond strengths between transition metal and oxygen and the structural stability plays an important role in cathode performances, detailed investigations on the structural properties of the cathode materials LiAl Co O can be practically helpful to understand the performances of these materials. The oxy-redox properties of LiAl Co O systems are comprehensible in the framework of Ni /Ni couples, and the trigonally compressed octahedral [NiO ] clusters are applicable to the clarification of the electrochemical properties of lithium nickel oxide batteries. It appears that LiAl Co O with the largest Al concentration may correspond to the smallest distortion among the mixing systems.

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\begin{matrix} lefttrue \\ g_{∥} = g_{s} + 2 k^{'} {ζ^{'}}^{2} / E_{1 ∥}^{2} + 4 k^{'} {normalζ}^{'} / E, \\ g_{⊥} = g_{s} + 2 k^{'} {ζ^{'}}^{2} / E_{1 ⊥}^{2} + k ζ / E, \end{matrix}

with

1 / E = 1 / E_{3} + 1 / E_{4} + 0.38 ((), 1 / E_{3} - 1 / E_{4}) .

…”

Section: Theory and Formulaementioning

confidence: 99%

Studies on the local structures for the trigonal Ni³⁺ centers in cathode materials LiAl_yCo_1–yO₂ (y = 0, 0.1, 0.5, and 0.8)

Ding

et al. 2018

Magnetic Reson in Chemistry

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Crystalline-amorphous hybrid CoNi layered double hydroxides for high areal energy density supercapacitor

Tao,

Quan,

et al. 2025

Journal of Colloid and Interface Science

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Investigations of the axial displacements of Co<sup>2+</sup>and Ni<sup>3+</sup> in Al<sub>2</sub>O<sub>3</sub>

Cited by 2 publications

References 43 publications

Studies on the local structures for the trigonal Ni³⁺ centers in cathode materials LiAl_yCo_1–yO₂ (y = 0, 0.1, 0.5, and 0.8)

Studies on the local structures for the trigonal Ni³⁺ centers in cathode materials LiAl_yCo_1–yO₂ (y = 0, 0.1, 0.5, and 0.8)

Crystalline-amorphous hybrid CoNi layered double hydroxides for high areal energy density supercapacitor

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Investigations of the axial displacements of Co<sup>2+</sup>and Ni<sup>3+</sup> in Al<sub>2</sub>O<sub>3</sub>

Cited by 2 publications

References 43 publications

Studies on the local structures for the trigonal Ni3+ centers in cathode materials LiAlyCo1–yO2 (y = 0, 0.1, 0.5, and 0.8)

Studies on the local structures for the trigonal Ni3+ centers in cathode materials LiAlyCo1–yO2 (y = 0, 0.1, 0.5, and 0.8)

Crystalline-amorphous hybrid CoNi layered double hydroxides for high areal energy density supercapacitor

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Studies on the local structures for the trigonal Ni³⁺ centers in cathode materials LiAl_yCo_1–yO₂ (y = 0, 0.1, 0.5, and 0.8)

Studies on the local structures for the trigonal Ni³⁺ centers in cathode materials LiAl_yCo_1–yO₂ (y = 0, 0.1, 0.5, and 0.8)