How to predict the location of the defect levels induced by 3d transition metal ions at octahedral sites of aluminate phosphors

Qu, Bingyan; Zhou, Rulong; Wang, Lei; Dorenbos, P.

doi:10.1039/c8tc05401k

Cited by 20 publications

(4 citation statements)

References 75 publications

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“…Besides, according to Wang et al, oxygen vacancies are easily generated under the anoxic condition, resulting in instability of Mn 4+ . 38,39 However, it has been reported that Ce 4+ can react with oxygen vacancies to form Ce 3+ , 40 so the existence of Ce 4+ in this system can consume oxygen vacancies and stabilize Mn 4+ , which is consistent with the facts described in Figure 2g. Notably, to fully detect the electronic structure of bulk materials, the more advanced technology of X-ray absorption near-edge structure (XANES) spectral measurements is required.…”

Section: ■ Experimental Sectionsupporting

confidence: 85%

Dual-Mode Optical Thermometry Design in Lu₃Al₅O₁₂:Ce³⁺/Mn⁴⁺ Phosphor

et al. 2020

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There is a challenge for noncontact temperature-sensing techniques and the related materials, in which a highly reliable contactless thermometer probe with low cost and high sensitivity is in demand. Here, the Lu3Al5O12:Ce3+/Mn4+ phosphor has been designed and prepared for the high-performance fluorescence temperature-sensing application in a novel one-pot, self-redox, solid-state process. Benefiting from the different electron–lattice/phonon interactions of Ce3+ and Mn4+, two distinguishable emission peaks with significantly different temperature responses originating from Ce3+ and Mn4+ are realized. Applying the fluorescence intensity ratio of Mn4+ versus Ce3+ and the decay lifetime of Mn4+ emission as the temperature readout, a dual-mode optical temperature-sensing mechanism was proposed and studied in the temperature range of 100–350 K. The maximum relative sensitivities (S r) are derived as 4.37 and 3.22% K–1 respectively, as well as a large chromaticity shift visible to naked eyes (ΔE = 153 × 10–3 in 100–350 K) is observed. This is the first report of a Ce3+,Mn4+ co-doped dual-emitting phosphor, and its unique optical thermometric features demonstrate the high potential of Lu3Al5O12:Ce3+/Mn4+ as an accurate and reliable thermometer probe candidate.

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Section: ■ Experimental Sectionsupporting

confidence: 85%

Dual-Mode Optical Thermometry Design in Lu₃Al₅O₁₂:Ce³⁺/Mn⁴⁺ Phosphor

et al. 2020

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“…The OTL is defined as shown in the Supporting Information, and the calculated OTL(Cu 2+ ) is about 2.74 eV on the Sr1 site and 2.46 eV on the Sr2 site, roughly in agreement with the experimental result (3.57 eV), considering the calculated OTL always systematically underestimates the experimental chargetransfer energies by about 1 eV. 38 Then, we discuss the long persistent luminescence (LPL) of Sr 1−x Ga 2 O 4 :xCu 2+ phosphors. The undoped SrGa 2 O 4 produces LPL emission, peaking at 406 nm after the sample is exposed to 254 nm UV light for about 30 min.…”

Section: Resultsmentioning

confidence: 99%

“…where I represents the luminescence intensity, and A 0 , A 1 , and A 2 are constants. τ 1 and τ 2 are the luminescence lifetimes, from which the average decay time can be calculated by using the The process of charge transfer from the ligand O 2− ion to Cu 2+ ion could be simulated by the optical transition level (OTL), 38,39 which is the energy needed for an electron at the VBM to transition to the lowest empty 3d state of Cu 2+ . The OTL is defined as shown in the Supporting Information, and the calculated OTL(Cu 2+ ) is about 2.74 eV on the Sr1 site and 2.46 eV on the Sr2 site, roughly in agreement with the experimental result (3.57 eV), considering the calculated OTL always systematically underestimates the experimental chargetransfer energies by about 1 eV.…”

Section: Resultsmentioning

confidence: 99%

Red-Emitting SrGa₂O₄:Cu²⁺ Phosphor with Super-Long Persistent Luminescence

Wang

Chen

et al. 2022

Chem. Mater.

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The red afterglow of current rare-earth-activated long persistent luminescence (LPL) phosphors is largely still less than 6 h, in contrast to the 20 or 30 h long blue-or green-emitting ones, becoming the main obstacle to realize their multiscenario applications in practice. Herein, we report a rare-earth-free redemitting LPL phosphor SrGa 2 O 4 :Cu 2+ that can exhibit an afterglow at about 622 nm lasting over 30 h, which can largely match with the luminance of current blue-or green-emitting LPL phosphors. We find that the Cu 2+ ion could be charged by ultraviolet light from 280 to 420 nm, and the emission has a very broad band with a full width at half-maximum of about 150 nm. Combining the thermoluminescence measurement and the first-principles calculation, we find that the O vacancies and the −1 charged Ga vacancies could store the holes and contribute to the LPL of SrGa 2 O 4 :Cu 2+ . Our results may dramatically promote and expand its potential applications and stimulate the research of the multicolor LPL phosphors in future.

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“…Exploiting clean and safe sources of energy became a major technological challenge in the 21'st century 1‐3 . Elaborating new materials with high efficiency, low cost, and improved durability will impact on making promising energy technologies 4‐10 . For that reason, new materials such as transition metal‐oxide (TMO) compounds have received much attention from the scientific community.…”

Section: Introductionmentioning

confidence: 99%

An extensive investigation of structural, electronic, optical, magnetic, and thermoelectric properties of NaMnAsO ₄ cluster by first‐principles calculations

Baaalla

Absike

Ammari

et al. 2022

Intl J of Energy Research

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The electronic, optical, magnetic, and thermoelectrical properties of both, the monoclinic (α-form) and the orthorhombic (β-form) phases of sodium manganese (II) arsenate NaMnAsO 4 cluster are investigated comprehensively by the first-principle calculations based on the Density Functional Theory. The fullpotential linearized augmented plane waves method within the generalized gradient approximation (GGA) and GGA + U approaches have been performed by the Wien2k software. Thermodynamic stability is confirmed by means of formation energy (ΔH f ). The spin-polarization is included in the calculations to study the electronic and magnetic properties. The indirect bandgaps are observed for the monoclinic phase, then the direct bandgaps are reported at Γ-symmetry point for the orthorhombic phase. The density of state, besides the band structure calculation, revealed that the studied material can be identified as a ferromagnetic semiconductor at low temperature with an optical bandgap energy of 1.35 and 0.83 eV for monoclinic and orthorhombic phases with GGA approach, as well as 1.27 and 1.59 eV with GGA + U approach, respectively. The refractive index range is 1.5 to 2.4 along with a wide absorption band in the UV region, which makes this material outstanding for optoelectronic devices. The thermoelectric properties for both structures have also been investigated using the BoltzTraP package. The obtained electrical conductivity, as well as the figure of merit, are found to be important for thermoelectrical devices. This suggests that NaMnAsO 4 could pave the way to further experimental research on optoelectronicthermoelectric applications.

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How to predict the location of the defect levels induced by 3d transition metal ions at octahedral sites of aluminate phosphors

Abstract: First estimate (left) and accurate estimate (right) of the defect levels of 3d-TM ions at the octahedral sites of aluminate phosphors.

Cited by 20 publications

References 75 publications

Dual-Mode Optical Thermometry Design in Lu₃Al₅O₁₂:Ce³⁺/Mn⁴⁺ Phosphor

Dual-Mode Optical Thermometry Design in Lu₃Al₅O₁₂:Ce³⁺/Mn⁴⁺ Phosphor

Red-Emitting SrGa₂O₄:Cu²⁺ Phosphor with Super-Long Persistent Luminescence

An extensive investigation of structural, electronic, optical, magnetic, and thermoelectric properties of NaMnAsO ₄ cluster by first‐principles calculations

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How to predict the location of the defect levels induced by 3d transition metal ions at octahedral sites of aluminate phosphors

Abstract: First estimate (left) and accurate estimate (right) of the defect levels of 3d-TM ions at the octahedral sites of aluminate phosphors.

Cited by 20 publications

References 75 publications

Dual-Mode Optical Thermometry Design in Lu3Al5O12:Ce3+/Mn4+ Phosphor

Dual-Mode Optical Thermometry Design in Lu3Al5O12:Ce3+/Mn4+ Phosphor

Red-Emitting SrGa2O4:Cu2+ Phosphor with Super-Long Persistent Luminescence

An extensive investigation of structural, electronic, optical, magnetic, and thermoelectric properties of NaMnAsO 4 cluster by first‐principles calculations

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Dual-Mode Optical Thermometry Design in Lu₃Al₅O₁₂:Ce³⁺/Mn⁴⁺ Phosphor

Dual-Mode Optical Thermometry Design in Lu₃Al₅O₁₂:Ce³⁺/Mn⁴⁺ Phosphor

Red-Emitting SrGa₂O₄:Cu²⁺ Phosphor with Super-Long Persistent Luminescence

An extensive investigation of structural, electronic, optical, magnetic, and thermoelectric properties of NaMnAsO ₄ cluster by first‐principles calculations