Study of the Solid Solutions of LiNbO3and LiTaO3with Mn2+

Villafuerte-Castrejón, M.E.; Azamar-Barrios, J.A.; Bartolo‐Pérez, P.

doi:10.1006/jssc.1997.7730

Cited by 6 publications

(3 citation statements)

References 31 publications

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“…6 Considering the Cu 2þ /Li þ charges, which are relatively close to the Ta 5þ and Nb 5þ ions, and that the LiO 6 sites are wider than Ta(Nb)O 6 , and considering the proximity of the ionic radius of Li þ (0.78 Å) and Cu 2þ (0.72 Å), it is highly probable that Cu 2þ replaces 2 Li þ with the creation of a lacuna [35] (2Li þ ! Several studies on similar compounds have come to the same conclusion, [42] which may explain the structural and compositional stability of the Cu substituted materials described in this manuscript. Several studies on similar compounds have come to the same conclusion, [42] which may explain the structural and compositional stability of the Cu substituted materials described in this manuscript.…”

Section: Resultssupporting

confidence: 64%

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Preparation of new ferroelectric Li_0.95Ta_0.57Nb_0.38Cu_0.15O₃ materials as photocatalysts in microbial fuel cells

et al. 2018

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A microbial fuel cell (MFC) is a device for both the generation of bioelectricity and the treatment of wastewater. However, its performance is affected by several parameters, and more particularly the materials used as the active phase at the cathode. In order to develop new, more efficient cathodes, two new non-stoichiometric ferroelectric cathode materials are studied in this work. These electrodes have been synthesized according to two heat treatment modes (slow cooling and rapid cooling) from non-stoichiometric ferroelectric materials with the formula Li 0.95 Ta 0.57 Nb 0.38 Cu 0.15 O 3 . The synthesized phases were characterized by X-ray diffraction (XRD), transmission electronic microscopy (TEM), particle size distribution (PSD), and differential scanning calorimetry (DSC). The main characteristics of these phases are the Curie temperatures, 1217 and 1197 8C, and the specific surfaces of 0.572 and 0.801 m 2 /g for the slow and rapid cooling phases, respectively. These materials were subsequently tested as photocathodes in a single chamber MFC in terms of the bioenergy production and wastewater treatment, by measuring the output power density and the rate of removal of COD in the presence of a light source. For the samples prepared by slow and rapid cooling, the values of maximum power density were 20.10 and 205.35 mW/m 3 , respectively. The COD removal rates were 74 and 80 %, respectively. Accordingly, the phase prepared by rapid cooling was shown to be more efficient in terms of power generation and wastewater treatment with a significant improvement in photocatalytic activity.

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Section: Resultssupporting

confidence: 64%

“…Cu 2þ þ lacuna). Several studies on similar compounds have come to the same conclusion, [42] which may explain the structural and compositional stability of the Cu substituted materials described in this manuscript.…”

Section: Resultssupporting

confidence: 64%

Preparation of new ferroelectric Li_0.95Ta_0.57Nb_0.38Cu_0.15O₃ materials as photocatalysts in microbial fuel cells

et al. 2018

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“…Las soluciones sólidas formadas con el ion Mn 2+ son excepcionalmente extensas (43) , este mecanismo es consistente con los resultados experimentales de soluciones sólidas en forma de polvos policristalinos.…”

Section: Soluciones Sólidas De Linbounclassified

Estudio de las soluciones de los ferroeléctricos LiNbO<sub>3</sub> y LiTaO<sub>3</sub>

Castrejón¹

2002

Bol. Soc. Esp. Ceram. Vidr.

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Los compuestos cerámicos LiNbO 3 y LiTaO 3 han sido estudiados considerablemente en los últimos años, debido a las interesantes propiedades ópticas y eléctricas (piezoelectricidad, piroelectricidad, ferroelectricidad) que presentan. Por estas razones estos materiales se consideran excelentes candidatos para un gran número de aplicaciones tecnológicas. Una característica importante de estos compuestos, es la facilidad con la que forman series de soluciones sólidas, incorporando diferentes cationes en sus redes. Se han obtenido series de soluciones sólidas con cationes de diferente tamaño y diferente carga con la consiguiente variación de las propiedades eléctricas y ópticas. En este trabajo se presenta un resumen de los estudios de las soluciones sólidas de LiNbO 3 y LiTaO 3 , los mecanismos de formación y los sitios que ocupan los cationes en la celda unidad, así como algunas de sus propiedades físicas más representativas Palabras clave: Niobato de litio, tantalato de litio, soluciones sólidas, ferroeléctricos Study of the ferroelectric LiNbO 3 and LiTaO 3 solid solutionsCeramic compounds LiNbO 3 and LiTaO 3 have been widely studied in the last years due to their interesting optical and electrical properties (piezoelectricity, piroelectricity, ferroelectricity). For this reason these materials are regarded excellent candidates for technological applications. An important characteristic of these compounds is the facility to form solid solution series, a large number of cations can be accommodated in the lattice and thus different optical and electrical properties have been obtained. In this work a review of LiNbO 3 and LiTaO 3 solid solutions is presented, the formation mechanisms, cation sites in the unitcell and some of the most representative properties are also included. Keywords INTRODUCCIÓNEl LiNbO 3 y el LiTaO 3 son compuestos muy versátiles. Desde los años setenta se han estudiado por sus numerosas aplicaciones y propiedades. En los ochenta, el enfoque principal se centró en los efectos producidos por la introducción de diversos cationes en solución sólida. En la última década se ha usado extensamente la técnica EXAFS (X ray absortion fine structure), además de méto-dos de simulaciones, para determinar los sitios que ocupan en la red estos diferentes cationes que forman las soluciones sólidas (1, 2).Actualmente el interés principal es el establecer una correlación entre los defectos provocados en estas redes al introducir diferentes cationes y los cambios en las propiedades físicas antes mencionadas.En principio, la determinación de los sitios que ocupan los cationes adicionados para formar soluciones sóli-das en estos materiales no es un problema sencillo, debido a la estructura pseudo-ilmenita que presentan. Esta estructura, descrita por diversos autores (3, 4), puede considerarse como una superestructura del corindón, en la que se reemplazan dos Al 3+ por un Li + y un Ta 5+, la cual está formada por cadenas de octaedros que comparten las caras a lo largo del eje polar c (Fig.1). 325Figura 1. Estructur...

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Modulating opto‐electronic and magnetic responses of Mo‐ and Zn‐adsorbed LiNbO₃ (1 1 1) surface for advanced energy harvesting applications: A comprehensive study

Rafiq,

Khan,

Azam

et al. 2024

Int J of Quantum Chemistry

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This study aimed to comprehensively investigate the optoelectronic and magnetic properties of Mo, Zn/LiNbO3 (1 1 1) material. The primary objectives were to understand the potential for manipulating the material's magnetism and to elucidate the origin of spin‐polarized states and magnetic moments, particularly with respect to the unpaired d orbitals of Nb, Mo, and Zn atoms. To achieve these objectives, we employed the Pardew–Burke–Ernzerhof (PBE) method within the Generalized Gradient Approximation (GGA + U) framework. This computational approach allowed us to examine the optoelectronic and magnetic characteristics of the material in detail. Our research yielded several key findings that enhance our understanding of Mo, Zn/LiNbO3 (1 1 1) material. We observed a modest improvement in the material's absorption capacity within the visible spectrum, accompanied by a discernible red‐shift. Notably, our study involved the calculation of the dielectric function and refractive constant of the material, revealing a strong correlation between absorption trends and the dielectric constant. Furthermore, our investigation uncovered that Mo, Zn/LiNbO3 (1 1 1) exhibits distinct conduction and valence bands, with p and d orbitals predominantly contributing to each, respectively. The energy gap of the material falls within a range of 0.30–1.04 eV. A particularly significant finding was the narrower band gap of Mo, Zn/LiNbO3 (1 1 1) material, which can be attributed to the superposition of Mo‐d and Zn‐p orbit energy levels with O‐p orbit energy levels, ultimately forming a covalent bond. Importantly, our research demonstrated the material's heightened optical absorption within the visible spectrum, suggesting its suitability for various photonic and optoelectronic applications. Additionally, we calculated a wide range of optical characteristics, including the dielectric function, absorption coefficient, energy loss, reflectivity, refractive index, extinction coefficient, and optical conductivity, providing a comprehensive assessment of the material's optical properties.

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Study of the Solid Solutions of LiNbO3and LiTaO3with Mn2+

Cited by 6 publications

References 31 publications

Preparation of new ferroelectric Li_0.95Ta_0.57Nb_0.38Cu_0.15O₃ materials as photocatalysts in microbial fuel cells

Preparation of new ferroelectric Li_0.95Ta_0.57Nb_0.38Cu_0.15O₃ materials as photocatalysts in microbial fuel cells

Estudio de las soluciones de los ferroeléctricos LiNbO<sub>3</sub> y LiTaO<sub>3</sub>

Modulating opto‐electronic and magnetic responses of Mo‐ and Zn‐adsorbed LiNbO₃ (1 1 1) surface for advanced energy harvesting applications: A comprehensive study

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Study of the Solid Solutions of LiNbO3and LiTaO3with Mn2+

Cited by 6 publications

References 31 publications

Preparation of new ferroelectric Li0.95Ta0.57Nb0.38Cu0.15O3 materials as photocatalysts in microbial fuel cells

Preparation of new ferroelectric Li0.95Ta0.57Nb0.38Cu0.15O3 materials as photocatalysts in microbial fuel cells

Estudio de las soluciones de los ferroeléctricos LiNbO<sub>3</sub> y LiTaO<sub>3</sub>

Modulating opto‐electronic and magnetic responses of Mo‐ and Zn‐adsorbed LiNbO3 (1 1 1) surface for advanced energy harvesting applications: A comprehensive study

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Resources

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Preparation of new ferroelectric Li_0.95Ta_0.57Nb_0.38Cu_0.15O₃ materials as photocatalysts in microbial fuel cells

Preparation of new ferroelectric Li_0.95Ta_0.57Nb_0.38Cu_0.15O₃ materials as photocatalysts in microbial fuel cells

Modulating opto‐electronic and magnetic responses of Mo‐ and Zn‐adsorbed LiNbO₃ (1 1 1) surface for advanced energy harvesting applications: A comprehensive study