Optical characteristics of the rare-earth-ions-doped calcium chlorapatite phosphors prepared by using the solid–state reaction method

Kim, Young-Kyung; Lee, Minjung; Yang, Ho‐Soon; Ha, Myoung Gyu; Hong, Kyong-Soo

doi:10.1016/j.cap.2015.12.016

Cited by 11 publications

(5 citation statements)

References 20 publications

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“…The doping processes are carried out to improve the required properties of the produced materials. In the literature, the use of Eu [10][11][12], Ta [13], Zr [14], Ce [15], Tb [16], Sm [17] and carbonate [18] as the dopants for the ClAp have been reported. Zhang et al [16] synthesized Eu 3+ /Tb 3+ co-doped ClAp by conventional solid-state synthesis method.…”

Section: Introductionmentioning

confidence: 99%

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Exploring Electronic and Structural Properties of Titanium-Doped Chlorapatite: A Theoretical and Experimental Investigation

KESER,

ATEŞ,

BULUT

et al. 2023

Journal of Physical Chemistry and Functional Materials

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The apatite family stands as a pivotal class of inorganic compounds with diverse elemental components, playing a crucial role in biological, environmental, and geological contexts. Among these, chlorapatite (ClAp) emerges as a significant member, featuring a hexagonal structure with the space group P63/m. In this theoretical study, we delve into the unexplored realm of Ti-doped ClAp structures, investigating their electronic and structural characteristics for the first time. Motivated by the potential impact of titanium (Ti) doping on electronic and optical properties, we employ density functional theory (DFT) principles to perform band structure calculations. The electronic band structure is explored comprehensively, shedding light on the energy distribution for electrons as a function of momentum. Our calculations reveal that un-doped ClAp exhibits an insulating nature, as indicated by a calculated band gap of approximately 4.947 eV. The theoretical volume parameter closely matches experimental observations, validating the reliability of our computational model. Introducing Ti as a dopant in 1.2TiClAp results in a discernible increase in the band gap to approximately 5.339 eV. The theoretical volume parameter exhibits excellent agreement with experimental data, emphasizing the precision of our calculations. For 2.4TiClAp, the band gap remains stable at around 5.344 eV, while the theoretical volume parameter stands at 0.5260 nm3. Our systematic exploration of Ti-doped ClAp underscores the tunability of electronic properties, signifying potential applications across diverse fields. The reliability of theoretical calculations is further affirmed by the consistent alignment with experimental parameters. These findings contribute significantly to our fundamental understanding of Ti-doped ClAp, providing crucial insights for material design and optimization. Ongoing collaborative efforts between theoretical and experimental approaches are essential for a comprehensive assessment of these complex materials.

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Section: Introductionmentioning

confidence: 99%

“…Zhang et al [16] synthesized Eu 3+ /Tb 3+ co-doped ClAp by conventional solid-state synthesis method. Kim et al [17] investigated the photoluminescence properties of Eu 3+ and Sm 3+ doped ClAp at different sintering temperatures. In the present study, we investigated Ti-doped ClAp structures for the first time, as well as we know.…”

Section: Introductionmentioning

confidence: 99%

Exploring Electronic and Structural Properties of Titanium-Doped Chlorapatite: A Theoretical and Experimental Investigation

KESER,

ATEŞ,

BULUT

et al. 2023

Journal of Physical Chemistry and Functional Materials

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“…reducing the hygroscopicity and studying the optical properties of Y 2 Mo 3 O 12 . RE-activated phosphors have been actively studied for the application in light-emitting diodes because of their chemical stability and relatively simple preparation conditions. Recently we have reported on the structures and optical properties of RE-doped apatites Ca 5 (PO 4 ) 3 Cl [30,31] and phosphates [32]. Trivalent samarium (Sm 3+ ) is applied as an activator for lots of phosphors that have red-orange emission arising from its 4 G 5/2 → 6 H J (J = 5/2, 7/2, and 9/2) transitions.…”

Section: Introductionmentioning

confidence: 99%

Structures and Photophysical Characterization of the Samarium-doped Y2Mo3O12 Ceramics

Lim

Kang

Yang

et al. 2021

Preprint

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Negative thermal expansion materials have been studied in various types of functional materials regardless of their intriguing physical properties. In this study, by introducing Sm 3+ ions into the Y 2 Mo 3 O 12 lattice, the hygroscopicity is reduced. Y 2 Mo 3 O 12 :xSm 3+ (x = 0.000 ~ 0.300) have been synthesized by using the solid-state reaction method, and their structures have been studied by using thermogravimetric analysis, X-ray diffraction, Raman spectrometry, FT-IR spectroscopy, and nano-SIMS. It is found that the Y 2 Mo 3 O 12 :Sm 3+ is formed in the orthorhombic [Y 2 Mo 3 O 12 ] phase for lower Sm 3+ concentrations and samarium molybdates [Sm 2 MoO 5 ] and [Sm 2 Mo 3 O 12 ] at higher Sm 3+ concentration samples. Elemental distribution images captured by using a nano-SIMS confirm the existence of [Sm 2 MoO 5 ] and [Sm 2 Mo 3 O 12 ] phases clearly. Additional phases due to the introducing of Sm 3+ ions confirm the reduction of atmospheric moisture. Photophysical properties obtained by using absorption and emission spectra reveal that the hygroscopicity-reduced Y 2 Mo 3 O 12 :Sm 3+ can be a possible orange-red-emitting phosphor with the near ultra-violet excitation.

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“…Este modelo de cavitación desarrollado por Günter H. Schnerr y Jürgen Sauer (Schnerr & Sauer, 2001), resulta especialmente interesante por ser el primer modelo que plantea una ecuación de transporte que no depende de ninguna constante experimental:…”

Section: Schnerr-sauerunclassified

“…El desarrollo del modelo se ha llevado a cabo mediante Fluent 19.2, puesto que en este software la transferencia de masa en los modelos de cavitación se calcula utilizando modificaciones de la ecuación de Rayleigh-Plesset, y a la vez existen 3 modelos diferentes para determinar la fracción másica de líquido-gas producida. Estos 3 modelos utilizados en Fluent son Schnerr-Sauer (Schnerr & Sauer, 2001), Singhal o Full Cavitation Mode (Singhal et al, 2002) y Zwart-Gerber-Belamri (Zwart et al, 2004) los cuales han sido explicados en detalle en el apartado 2.2.4. Además, este software permite el desarrollo de mallas 2D, lo que reduce sustancialmente los tiempos de cálculo en sistemas que pueden ser simplificados a un comportamiento hidrodinámico en el plano (como es el caso particular del Venturi).…”

Section: Simulación De Un Dispositivo Venturiunclassified

Diseño y análisis de un sistema de cavitación hidrodinámica mediante el uso de técnicas CFD para su utilización en sistemas de pretratamiento de fangos en las estaciones de aguas residuales

Herrera¹

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Optical characteristics of the rare-earth-ions-doped calcium chlorapatite phosphors prepared by using the solid–state reaction method

Cited by 11 publications

References 20 publications

Exploring Electronic and Structural Properties of Titanium-Doped Chlorapatite: A Theoretical and Experimental Investigation

Exploring Electronic and Structural Properties of Titanium-Doped Chlorapatite: A Theoretical and Experimental Investigation

Structures and Photophysical Characterization of the Samarium-doped Y2Mo3O12 Ceramics

Diseño y análisis de un sistema de cavitación hidrodinámica mediante el uso de técnicas CFD para su utilización en sistemas de pretratamiento de fangos en las estaciones de aguas residuales

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