Synthesis, Crystal Structure, and Characterization of Na7Cu4(AsO4)5

Rajah, Fathia; Graia, Mohsen; Mhiri, Tahar

doi:10.1080/10426507.2012.745077

Cited by 3 publications

(2 citation statements)

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“…Furthermost, the phosphates and arsenates materials family is adopted by many oxides that have AMXO 4 (A I M II X V O 4 ) type chemical formula, where A I refers to alkali metal cation, NH 4 + , Tl + , Ag + , M II refers to Fe, Cu, Zn, Mn, and X V refers to As, P 20‐23 . The success of transition metal‐oxide materials can be explained by the presence of 3d TM ions, which create local ferromagnetic structures 24,25 …”

Section: Introductionmentioning

confidence: 99%

“…14 TMO materials have been extensively used for various technical applications such as energy storage/conversion systems, electrochemical capacitors, Li-ion batteries, metal oxides batteries, and fuel cells, which are coming more attractive than ever. [15][16][17][18][19] Furthermost, the phosphates and arsenates materials family is adopted by many oxides that have AMXO 4 (A I M II X V O 4 ) type chemical formula, where A I refers to alkali metal cation, NH 4 + , Tl + , Ag + , M II refers to Fe, Cu, Zn, Mn, and X V refers to As, P. [20][21][22][23] The success of transition metal-oxide materials can be explained by the presence of 3d TM ions, which create local ferromagnetic structures. 24,25 Among various metal oxides, the NaMnAsO 4 compound presents a new material that possesses an outstanding property that can be used for many optoelectronic devices as is known for TM-oxide materials, 26 NaMnAsO 4 can crystallize in the monoclinic and orthorhombic structures.…”

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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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Section: Introductionmentioning

confidence: 99%

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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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A new copper(II) arsenate, Na2Cu3(AsO3OH)4·4H2O containing discrete [Cu3O12]18− units: Synthesis, crystal structure and magnetic properties

Đorđević

Karanović

Jagličić

2018

Journal of Solid State Chemistry

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Crystal Structure, Ionic Conductivity, Dielectric Properties and Electrical Conduction Mechanism of the Wyllieites Na1.5Mn3.5(AsO4)3 and Na1.5Mn3Fe0.5(AsO4)3

et al. 2023

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Na1.5MnII3MnIII0.5(AsO4)3 and Na1.5MnII3FeIII0.5(AsO4)3 compounds were synthesized via a high-temperature solid-state combustion reaction. The obtained samples were submitted to structural, morphological, and electrical characterizations. X-ray diffraction measurements revealed that both compounds crystallize in the monoclinic system with the space group P21/c. The lattice parameters were determined to be a = 6.78344 Å, b = 12.93830 Å, c = 11.22825 Å, and β = 98.5374° for Na1.5MnII3MnIII0.5(AsO4)3, and a = 6.76723 Å, b = 12.9864 Å, c = 11.256 Å, and β = 98.8636° for Na1.5Mn2+3Fe3+0.5(AsO4)3. The structures consist of octahedral MnII and MnIII or FeIII ions connected by sharing edges, forming infinite chains. These chains are further connected by AsO4 tetrahedra, resulting in a three-dimensional anionic framework with tunnels parallel to the a-direction and cavities according to the c-direction. The structural models were validated using bond valence and charge distribution analyses. In addition to the structural characterization, the electric results depended on the crystal structures, indicating the potential of the studied materials for being used in several applications.

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Synthesis, Crystal Structure, and Characterization of Na₇Cu₄(AsO₄)₅

Cited by 3 publications

References 31 publications

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

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

A new copper(II) arsenate, Na2Cu3(AsO3OH)4·4H2O containing discrete [Cu3O12]18− units: Synthesis, crystal structure and magnetic properties

Crystal Structure, Ionic Conductivity, Dielectric Properties and Electrical Conduction Mechanism of the Wyllieites Na1.5Mn3.5(AsO4)3 and Na1.5Mn3Fe0.5(AsO4)3

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Synthesis, Crystal Structure, and Characterization of Na7Cu4(AsO4)5

Cited by 3 publications

References 31 publications

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

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

A new copper(II) arsenate, Na2Cu3(AsO3OH)4·4H2O containing discrete [Cu3O12]18− units: Synthesis, crystal structure and magnetic properties

Crystal Structure, Ionic Conductivity, Dielectric Properties and Electrical Conduction Mechanism of the Wyllieites Na1.5Mn3.5(AsO4)3 and Na1.5Mn3Fe0.5(AsO4)3

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Synthesis, Crystal Structure, and Characterization of Na₇Cu₄(AsO₄)₅

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

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