New layered chalcogenides (Na0.5OH)Fe0.5Cu0.5X (X = Se, S): Synthesis, structure, magnetic and electrochemical properties

Tan, Xin; Tang, Yuting; Ren, Yurong; Lai, Xiaofang; Guo, Minhao; Xiao, Mingling; Wu, Ruiwen; Shi, Zhicong; Li, Jun; Jian, Jikang

doi:10.1016/j.mtcomm.2022.103484

Cited by 3 publications

(3 citation statements)

References 53 publications

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“…For example, hydrothermal ion-exchange reactions are known for the layered Fe Q -based materials ( Q = S and Se), but they can be extended to other 2D materials. Recently, postsynthetic modification of KCuFe Q 2 powder resulted in (Na 0.5 OH)Cu 0.5 Fe 0.5 Q 2 ( Q = S and Se), where Na 0.5 OH and Cu 0.5 Fe 0.5 Q 2 are antifluorite sublayers. The structural match between intercalated structure and framework is an excellent prerequisite for SCSC transformation and could be achieved in the future for (Na 0.5 OH)Cu 0.5 Fe 0.5 Q 2 materials.…”

Section: Discussionmentioning

confidence: 99%

Advances in Chalcogenide Crystal Growth: Flux and Solution Syntheses, and Approaches for Postsynthetic Modifications

Berseneva

Loye

2023

Crystal Growth & Design

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Chalcogenide-containing materials are important for the semiconductor and thermoelectric industries and are up-and-coming materials for superconductors, catalysis, and battery applications. Challenges in the synthesis of those materials emerge from the chalcogen’s volatility and from the tendencies of chalcogenide materials to react with even trace quantities of oxygen. Nonetheless, many techniques have been applied to the growth of chalcogenide single crystals, which are convenient for structure determinations and intrinsic property measurements. In the current perspective, we highlight flux crystal growth, solution syntheses, and a novel approach, single-crystal-to-single-crystal modifications, as convenient routes for the preparation of single-crystal chalcogenide materials and emphasize recent advances in those synthetic techniques that have resulted in novel chalcogenide materials classes and that exhibit important properties.

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Section: Discussionmentioning

confidence: 99%

Advances in Chalcogenide Crystal Growth: Flux and Solution Syntheses, and Approaches for Postsynthetic Modifications

Berseneva

Loye

2023

Crystal Growth & Design

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“…To fulfill the expanding global energy needs, substituted renewable energy resources are required [1][2][3]. More significantly, sustainable development and economic advancement depend on high-efficiency clean energy conversion technologies [4][5][6][7]. Given its clean nature and universality, solar energy is likely to emerge as the most popular sustainable energy source [8][9][10][11].…”

Section: Introductionmentioning

confidence: 99%

Insights into optoelectronic, thermodynamic, and thermoelectric properties of novel GePtCh (Ch = S, Se, Te) semiconductors: first-principles perspective

Salman Khan,

Gul,

Benabdellah

et al. 2024

Phys. Scr.

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Ternary chalcogenides are often studied for their remarkable heat resistance and flexible optical properties. We used the well-known density functional theory and examine the complicated connections between the various physical features of the exclusive GePtCh (Ch = S, Se, and Te) ternary chalcogenides. The valence band is formed by the hybridization of the Ge-s/p/d, Pt-s/p/d, and s-p, se-p, and Te-p orbitals in the energy range of -6.0 eV to 0 eV. The materials under consideration are confirmed as indirect bandgap materials with estimated energy gaps of 1.3 eV, 0.8 eV, and 0.2 eV, respectively. By substituting Se and Te for S reduced the bandgap in these materials. The complex dielectric function's components, absorption coefficients, real optical conductivity, energy loss functions, refractive index, reflectivity, and extinction coefficient, are studied and examined to identify their potential use in optoelectronic applications. The thermodynamic parameters of these ternary systems are calculated by employing the quasi-harmonic Debye model. The materials are suitable for thermoelectric applications, as evidenced by their considerable and outstanding thermoelectric properties. Among the materials, GePtTe possessed the highest absorption, indicating that it is a suitable material for the use in optoelectronic applications.

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“…Cu 2 CdSnSe 4 [27], CuInTe 2 [28], Cu 3 SbCh 4 (Ch = Se, S) [29], and Cu 2 ZnSnX 4 (X = Se, S) are quaternary or ternary based chalcogenides that have recently investigated by researchers. These chalcogenides may be thought of as modified versions of II-VI ZnS semiconductors [30].…”

Section: Introductionmentioning

confidence: 99%

Exploring the electronic, optical, and thermoelectric features of BaXCu₃Se₄ (X = In, Tl) quaternary chalcogenides: first-principles study

Mohamed,

Gul,

Salman Khan

et al. 2024

Phys. Scr.

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The tunable optical characteristics and superior thermal stability of Indium and Thallium-based quaternary chalcogenides are significant. We studied the intricate relationship between the optoelectronic, and thermoelectric features of notable BaXCu3Se4 (X = In, Tl) quaternary chalcogenides. Both the maximum of the valence band and conduction band coincide at the Γ-point, confirming these materials as direct band gap materials. By substituting Indium for thallium, the calculated band gap decreases from 0.71 eV to 0.53 eV. These anions have a considerable impact and contribute to a decrease in the energy gap via valence electrons. Partially filled d orbitals of copper play an important role in electronic states at the Fermi level. The components of the complex dielectric function, as well as other important optical parameters, are examined and analyzed to identify their potential use in optoelectronic applications. The ε1(ω) becomes negative at 6.32 eV, suggesting that the medium is reflecting all of the incident light. Thallium affects the absorption spectrum because it changes the density of states and electronic transitions. The absorption spectra indicated that the material absorbs in the visible and near-UV parts of the spectrum, which is fascinating and might have applications in optoelectronics. The investigated materials are suitable for thermoelectric devices as evidenced by significant and notable thermoelectric properties. Because the Seebeck coefficient is negative, most charge carriers, typically electrons, flow from the higher temperature area to the lower temperature region. At both low and high temperatures, thallium is accountable for BaTlCu3Se4's higher thermal conductivity than BaInCu3Se4 material.

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New layered chalcogenides (Na0.5OH)Fe0.5Cu0.5X (X = Se, S): Synthesis, structure, magnetic and electrochemical properties

Cited by 3 publications

References 53 publications

Advances in Chalcogenide Crystal Growth: Flux and Solution Syntheses, and Approaches for Postsynthetic Modifications

Advances in Chalcogenide Crystal Growth: Flux and Solution Syntheses, and Approaches for Postsynthetic Modifications

Insights into optoelectronic, thermodynamic, and thermoelectric properties of novel GePtCh (Ch = S, Se, Te) semiconductors: first-principles perspective

Exploring the electronic, optical, and thermoelectric features of BaXCu₃Se₄ (X = In, Tl) quaternary chalcogenides: first-principles study

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New layered chalcogenides (Na0.5OH)Fe0.5Cu0.5X (X = Se, S): Synthesis, structure, magnetic and electrochemical properties

Cited by 3 publications

References 53 publications

Advances in Chalcogenide Crystal Growth: Flux and Solution Syntheses, and Approaches for Postsynthetic Modifications

Advances in Chalcogenide Crystal Growth: Flux and Solution Syntheses, and Approaches for Postsynthetic Modifications

Insights into optoelectronic, thermodynamic, and thermoelectric properties of novel GePtCh (Ch = S, Se, Te) semiconductors: first-principles perspective

Exploring the electronic, optical, and thermoelectric features of BaXCu3Se4 (X = In, Tl) quaternary chalcogenides: first-principles study

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Exploring the electronic, optical, and thermoelectric features of BaXCu₃Se₄ (X = In, Tl) quaternary chalcogenides: first-principles study