The spin-state transition in ACo2O4 spinels (A = Be, Mg, Ca, Cd, Zn)

Zhandun, V. S.; Draganyuk, Oksana N.

doi:10.1016/j.jmmm.2022.169206

Cited by 1 publication

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“…The functions of generalized gradient approximation with Perdew Burke Ernzerhof were used to calculate and analyze the spin property of ZFCO-x samples. To include strong correlation effects, we performed LDA + U calculations with a moderately effective U eff = 4.5 eV for Fe atoms and U eff = 4.5 eV for Co atoms [21,39]. We also used U eff = 3 and 6 eV for Fe atoms and obtained similar results as with U eff = 4.5 eV [40].…”

Section: Calculationmentioning

confidence: 91%

Manipulating spin-polarization of Co-doped ZnFe₂O₄ for photocatalytic TC degradation

Xie,

Huang,

Zhang

et al. 2024

J. Phys. D: Appl. Phys.

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The rapid recombination of photogenerated electrons and holes was an enormous hindrance constraining the photocatalytic efficiency of photocatalysis, which could be effectively solved by inducing electron spin-polarization. Herein, a series of gradient ZnFe2-xCoxO4 (ZFCO-x) magnetic compounds with spin-polarization properties were synthesized by doping Co cation into ZnFe2O4, as well as the diffraction of X-rays characterization confirmed the successful synthesis of the samples. In photodegradation experiments, ZFCO-0.8 manifested improved photocatalytic degradation efficiency in TC removal experiments with visible-light exposure and external magnetic field. Furthermore, the photodegradation experiments exhibited that the degradation efficiency of ZFCO-x could be raised through Co doping and the photocatalytic degradation efficiency was significantly improved under an external magnetic field. The sample exhibiting the most prominent enhancement was ZFCO-x with doping content of x=0.8, which displayed 48% photocatalytic degradation performance enhancement with a magnetic field. Density functional theory (DFT) was used to calculate the density of states (DOS) of materials. The calculated DOS indicated that ZFCO-0.8 exhibited the most intense spin-polarization consistent with the results of the experiment. This work is anticipated to deliver an operating method for manipulating spin-polarization in photocatalytic semiconductors to improve photocatalytic degradation efficiency.

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Section: Calculationmentioning

confidence: 91%

Manipulating spin-polarization of Co-doped ZnFe₂O₄ for photocatalytic TC degradation

Xie,

Huang,

Zhang

et al. 2024

J. Phys. D: Appl. Phys.

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The spin-state transition in ACo2O4 spinels (A = Be, Mg, Ca, Cd, Zn)

Cited by 1 publication

References 44 publications

Manipulating spin-polarization of Co-doped ZnFe₂O₄ for photocatalytic TC degradation

Manipulating spin-polarization of Co-doped ZnFe₂O₄ for photocatalytic TC degradation

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The spin-state transition in ACo2O4 spinels (A = Be, Mg, Ca, Cd, Zn)

Cited by 1 publication

References 44 publications

Manipulating spin-polarization of Co-doped ZnFe2O4 for photocatalytic TC degradation

Manipulating spin-polarization of Co-doped ZnFe2O4 for photocatalytic TC degradation

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Manipulating spin-polarization of Co-doped ZnFe₂O₄ for photocatalytic TC degradation

Manipulating spin-polarization of Co-doped ZnFe₂O₄ for photocatalytic TC degradation