Study of the structural, electronic, and optical properties of the host matrices of LiAl5O8 and LiGa5O8 via DFT

Sousa, O.M.

doi:10.1016/j.comptc.2017.11.015

Cited by 20 publications

(3 citation statements)

References 18 publications

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“…Figure displays the crystal structures of O-LiAl 5 O 8 and D-LiAl 5 O 8 . The discrepancies in the structure of the two compounds were thoroughly pointed out, which was consistent with the literature. ,− (More detailed structural information of the O-LiAl 5 O 8 is given in Table S1 in the Supporting Information). In the crystal structures of both O-LiAl 5 O 8 and D-LiAl 5 O 8 , the tetrahedral sites were only occupied by Al ions.…”

Section: Results and Discussionsupporting

confidence: 84%

Crystal Structure and Bond-Valence Investigation of Nitrogen-Stabilized LiAl₅O₈ Spinels

Chen

Wang

et al. 2022

Inorg. Chem.

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An in-depth insight into the effect of nitrogen substitution on structural stabilization is important for the design of new spinel-type oxynitride materials with tailored properties. In this work, the crystal structures of ordered and disordered LiAl 5 O 8 obtained by slow cooling and rapid quenching, respectively, were analyzed by a X-ray diffraction (XRD) Rietveld refinement and OccQP program. The variation in the bonding state of atoms in the two compounds was explored by the bond valence model, which revealed that the instability of spinel-type LiAl 5 O 8 crystal structure at room temperature is mainly due to the severe underbonding of the tetrahedrally coordinated Al cations. With the partial substitution of oxygen with nitrogen in LiAl 5 O 8 , a series of the nitrogenstabilized spinel Li y Al (16+x−y)/3 O 8−x N x (0 < x < 0.5, 0 < y < 1) was successfully prepared. The crystal structures were systematically investigated by the powder XRD structural refinement combined with 7 Li and 27 Al magic-angle spinning nuclear magnetic resonance. All the Li + ions entered the octahedra, while the Al resonances may be composed of multiple non-equivalent Al sites. The structural stability of spinel Li y Al (16+x−y)/3 O 8−x N x at ambient temperature was attributed to the cationic vacancies and high valence generated by the N ions, which alleviated the under-bonding state of the tetrahedral Al−O bond. This work provides a new perspective for understanding the composition−structure relationship in spinel compounds with multiple disorders.

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Section: Results and Discussionsupporting

confidence: 84%

Crystal Structure and Bond-Valence Investigation of Nitrogen-Stabilized LiAl₅O₈ Spinels

Chen

Wang

et al. 2022

Inorg. Chem.

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“…12 Furthermore, various computational studies have been reported. 13 The first report of Ni 2+ dopant in LiGa 5 O 8 was published in 1986, 12 and since then numerous experimental studies have been conducted and reported. The short-wave-infrared (SWIR), also known as the near-infrared II (NIR-II), window is a spectral window extending from 1000 to 2000 nm.…”

Section: Introductionmentioning

confidence: 99%

“…It can incorporate numerous transition metals and rare‐earth elements, such as Cr 3+ , Co 2+ , Fe 3+ , Ni 2+ , and Yb 3+ 12 . Furthermore, various computational studies have been reported 13 . The first report of Ni 2+ dopant in LiGa 5 O 8 was published in 1986, 12 and since then numerous experimental studies have been conducted and reported.…”

Section: Introductionmentioning

confidence: 99%

Exploring the luminescence of tin‐incorporated nickel‐sensitized lithium gallate short‐wave‐infrared phosphors

et al. 2023

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A series of Ni 2+ -sensitized LiGa 5 O 8 nanocrystals doped with varying amounts of Sn 4+ were synthesized via a high-temperature solid-state method. X-ray diffraction and scanning electron microscopy were employed to investigate the microstructure of the LiGa 5 O 8 host, and optical spectroscopy was used to examine the effects of Sn 4+ addition on the emission spectra and persistent luminescence (PersL) properties, which indicated a homogeneous distribution of the constituent elements in the phosphor. The Sn 4+ incorporation led to an approximately sixfold enhancement of photoluminescence intensity at room temperature and decrease in the energy transition of Ni 2+ ( 3 T 2 ( 3 F)→ 3 A 2 ( 3 F)), which resulted in ∼65 nm bathochromic shift in the photoluminescence emission maxima. However, the addition of Sn 4+ dopant led to a decrease in the quantum yield of luminescence compared to that of the original phosphor. Temperature-dependent thermoluminescence measurements revealed that doping of LiGa 5 O 8 with Sn 4+ interfered with the Ni 2+ trap centers. Moreover, Ni 2+ -sensitized Sn 4+ -doped LiGa 5 O 8 nanocrystals exhibited an afterglow effect that persisted for up to 300 s.

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Quasi‐Continuous Defect Levels in Broadband Gap: A New Strategy for High‐Temperature Long Persistent Luminescence Materials

Zhang,

Chen,

Bai

et al. 2023

Advanced Optical Materials

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Long persistent luminescence (LPL) materials widely employed in the fields of emergency lighting and anti‐counterfeiting are mostly used at room temperature. As temperatures rise, the performance of LPL materials deteriorates dramatically, which hinders their application in in vivo imaging, high‐temperature display, and information storage. Herein, a multifunctional material LiGa5O8:Tb3+ (LGT) with green high‐temperature LPL (HT‐LPL) and blue cathodoluminescence (CL) is reported. Its LPL performance is anomalously enhanced with increasing temperature, and the duration time is more than 8 h at 423 K. With combined temperature‐dependent decay curves and thermoluminescence analyses, the unique quasi‐continuous defect levels are found in the band gap. The high‐concentration carriers in deep traps are frozen at room temperature and activated only at high temperatures, accompanied by changes in energy transfer pathways. The excellent HT‐LPL makes LGT a light‐emitting component of next‐generation smart wearable devices, as well as high‐temperature warning equipment in deep well exploration at a depth of 4500 m. The intense anti‐degradation blue CL makes it suitable for field emission displays, while the manipulable emission property makes it suitable for high‐level anti‐counterfeiting. This study fills a gap in HT‐LPL materials and opens up a new gateway for the efficient design of HT‐LPL and other multifunctional materials.

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Study of the structural, electronic, and optical properties of the host matrices of LiAl5O8 and LiGa5O8 via DFT

Cited by 20 publications

References 18 publications

Crystal Structure and Bond-Valence Investigation of Nitrogen-Stabilized LiAl₅O₈ Spinels

Crystal Structure and Bond-Valence Investigation of Nitrogen-Stabilized LiAl₅O₈ Spinels

Exploring the luminescence of tin‐incorporated nickel‐sensitized lithium gallate short‐wave‐infrared phosphors

Quasi‐Continuous Defect Levels in Broadband Gap: A New Strategy for High‐Temperature Long Persistent Luminescence Materials

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Study of the structural, electronic, and optical properties of the host matrices of LiAl5O8 and LiGa5O8 via DFT

Cited by 20 publications

References 18 publications

Crystal Structure and Bond-Valence Investigation of Nitrogen-Stabilized LiAl5O8 Spinels

Crystal Structure and Bond-Valence Investigation of Nitrogen-Stabilized LiAl5O8 Spinels

Exploring the luminescence of tin‐incorporated nickel‐sensitized lithium gallate short‐wave‐infrared phosphors

Quasi‐Continuous Defect Levels in Broadband Gap: A New Strategy for High‐Temperature Long Persistent Luminescence Materials

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Crystal Structure and Bond-Valence Investigation of Nitrogen-Stabilized LiAl₅O₈ Spinels

Crystal Structure and Bond-Valence Investigation of Nitrogen-Stabilized LiAl₅O₈ Spinels