Studies on the spin Hamiltonian parameters and local structure for Rh4+ and Ir4+ in TiO2

Li, L. L.; Wu, Shao-Yi; Xu, Pei; Zhang, S. X.

doi:10.1007/s00269-009-0351-x

Phys Chem Minerals

2009

DOI: 10.1007/s00269-009-0351-x

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Studies on the spin Hamiltonian parameters and local structure for Rh4+ and Ir4+ in TiO2

L. L. Li

Shao-Yi Wu

Pei Xu

et al.

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Cited by 8 publications

References 36 publications

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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)

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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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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show abstract

The calculation of zero-field splitting parameters for Fe3+ ions doped in rutile TiO2 crystal by superposition model analysis

2012

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Studies of the local lattice distortions for the various rhombic Ru3+ centres in AgX (X = Cl and Br)

et al. 2016

Polyhedron

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Studies on the spin Hamiltonian parameters and local structure for Rh4+ and Ir4+ in TiO2

Cited by 8 publications

References 36 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)

The calculation of zero-field splitting parameters for Fe3+ ions doped in rutile TiO2 crystal by superposition model analysis

Studies of the local lattice distortions for the various rhombic Ru3+ centres in AgX (X = Cl and Br)

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Studies on the spin Hamiltonian parameters and local structure for Rh4+ and Ir4+ in TiO2

Cited by 8 publications

References 36 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)

The calculation of zero-field splitting parameters for Fe3+ ions doped in rutile TiO2 crystal by superposition model analysis

Studies of the local lattice distortions for the various rhombic Ru3+ centres in AgX (X = Cl and Br)

Contact Info

Product

Resources

About

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)