Synthesis, Superstructure, and Vacancy‐Ordering in 2H‐CuxTa1+ySe2 (x, y = 0.52, 0 and 0.16, 0.08)

Ali, Sk Imran; Mondal, Swastik; Smaalen, Sander van

doi:10.1002/zaac.201400335

Cited by 6 publications

(5 citation statements)

References 41 publications

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“…Interestingly, information about doping 1T-TaS 2 with coinage metals is missing. Typically, copper and silver form donor intercalation compounds with TaS 2 , where copper and silver are located rather in the van der Waals gaps than substituting tantalum within the TaS 2 -sheets [29][30][31]. During our research on copper tantalum sulfides, we found that a sufficiently high amount of sulfur excess can force copper to substitute tantalum in 1T-TaS 2 .…”

Section: Introductionmentioning

confidence: 79%

Forcing substitution of tantalum by copper in 1T-TaS₂: synthesis, structure and electronic properties of 1T-Cu_xTa_1−xS₂

Sachs

Bohnen

Conrad

et al. 2018

J. Phys.: Condens. Matter

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We investigated the compound 1T-Cu Ta S with respect to its synthesis, homogeneity range, structure and electronic properties. The average structure of 1T-Cu Ta S resembles that of the high-temperature phase of the layered transition metal dichalcogenide 1T-TaS in which tantalum is partially substituted by copper. 1T-Cu Ta S readily decomposes at elevated temperatures and can only be prepared and stabilized by a sufficiently high amount of sulfur excess. XPS and NEXAFS measurements reveal that copper has the oxidation state +I in 1T-Cu Ta S, which is supported by quantum chemical calculations. The disorder introduced by copper doping causes an Anderson-type localization of the conduction electrons as manifested by a strong increase of the electrical resistivity and a Curie-type paramagnetism at low temperatures as in other doped systems 1T-M Ta S with higher valent metals. Quantum chemical calculations support this interpretation.

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Section: Introductionmentioning

confidence: 79%

Forcing substitution of tantalum by copper in 1T-TaS₂: synthesis, structure and electronic properties of 1T-Cu_xTa_1−xS₂

Sachs

Bohnen

Conrad

et al. 2018

J. Phys.: Condens. Matter

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“…Several studies have been reported up to now on nonstoichiometric compounds based on Ni and chalcogens owing to the partial occupancy of metal ions. − The investigation of fundamental relations between the structures of compounds and their distinct properties is of utmost importance. Multiscale computation methods and their applications in lithium ion batteries (LIBs) by use of different atomic-scale simulations and macroscale simulations have been studied before. , The study can not only minimize the experimental and theoretical gaps but also predict path-independent properties to understand its performance.…”

Section: Introductionmentioning

confidence: 99%

Design, Synthesis, Crystal Structure, and Thermal Studies of Ni_0.779SbF₃(SO₄): A New Electrode Material for Electrochemical Supercapacitors

Das,

Paul,

Sen

et al. 2023

Crystal Growth & Design

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A new transition-metal-based antimony fluoride sulfate compound, Ni 0.779 SbF 3 (SO 4 ), has been studied, which appears to be a promising candidate for an electrode material in supercapacitor devices. The hydrothermal synthetic technique has been employed for growing single crystals. The single-crystal X-ray diffraction study reveals that it crystallizes in the orthorhombic space group Cmce with unit cell parameters a = 15.1710 ( 3) Å, b = 7.1843 (11) Å, and c = 11.070 (17) Å and Z = 8. The crystal structure consists of a [SbF 3 O 2 ] polyhedron and a [SO 4 ] tetrahedron along with cis-and trans-[NiO 4 F 2 ] octahedrons of two different Ni atoms that result in negatively charged [NiSbF 3 • SO 4 ] n layers in the crystal structure, where each layer is made up of chains of [Ni(1)O 6 F 2 ] n , [Ni(2)O 8 F 2 ] n , and [(SbF 3 ) 2 (SO 4 ) 2 ] n4− . The partial occupancy on Ni sites resulted in the compound being nonstoichiometric. The morphological analysis by both scanning electron microscopy (SEM) and tunneling electron microscopy (TEM) reveals a multilayer dense nanoflake-like morphology. Thermogravimetric analysis (TG-DTA) shows that the compound has a high thermal stability with a decomposition temperature above 450 °C. The density functional theory (DFT) and density of states (DOS) are found to be commensurate with the experimental results. The material shows good electrochemical performance with a capacitance of 245 F g −1 at a specific current density of 1 A g −1 . Further, the electrochemical impedance spectroscopy (EIS) study confirms the capacitive nature of the electrode.

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“…The weak interlayer bonding permits intercalations, quite akin to other layered materials such as graphite, allowing the incorporation of various metal atoms − and organic molecules , between the layers to form stoichiometric or nonstoichiometric compounds. Depending on the intercalated species, changes in the physical properties of the host can occur.…”

Section: Introductionmentioning

confidence: 99%

Reversible Iodine Intercalation into Tungsten Ditelluride

et al. 2021

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The new compound WTe2I was prepared by a reaction of WTe2 with iodine in a fused silica vessel at temperatures between 40 and 200 °C. Iodine atoms are intercalated into the van der Waals gap between tungsten ditelluride layers. As a result, the WTe2 layer separation and therefore the c-axis length is significantly increased, and the orthorhombic space group is preserved. Iodine atoms form planar layers between each tungsten ditelluride layer. Due to oxidation by iodine the semi-metallic nature of WTe2 is changed, as shown by comparative band structure calculations for WTe2 and WTe2I based on density functional theory. The calculated phonon band structure of WTe2I suggests a charge density wave instability at low temperature. File list (2)download file view on ChemRxiv WTe2I-CPR-V2.pdf (2.31 MiB) download file view on ChemRxiv WTe2I-SI.pdf (832.36 KiB)

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Synthesis, Superstructure, and Vacancy‐Ordering in 2H‐Cu_xTa_1+ySe₂ (x, y = 0.52, 0 and 0.16, 0.08)

Cited by 6 publications

References 41 publications

Forcing substitution of tantalum by copper in 1T-TaS₂: synthesis, structure and electronic properties of 1T-Cu_xTa_1−xS₂

Forcing substitution of tantalum by copper in 1T-TaS₂: synthesis, structure and electronic properties of 1T-Cu_xTa_1−xS₂

Design, Synthesis, Crystal Structure, and Thermal Studies of Ni_0.779SbF₃(SO₄): A New Electrode Material for Electrochemical Supercapacitors

Reversible Iodine Intercalation into Tungsten Ditelluride

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Synthesis, Superstructure, and Vacancy‐Ordering in 2H‐CuxTa1+ySe2 (x, y = 0.52, 0 and 0.16, 0.08)

Cited by 6 publications

References 41 publications

Forcing substitution of tantalum by copper in 1T-TaS2: synthesis, structure and electronic properties of 1T-Cu x Ta1−x S2

Forcing substitution of tantalum by copper in 1T-TaS2: synthesis, structure and electronic properties of 1T-Cu x Ta1−x S2

Design, Synthesis, Crystal Structure, and Thermal Studies of Ni0.779SbF3(SO4): A New Electrode Material for Electrochemical Supercapacitors

Reversible Iodine Intercalation into Tungsten Ditelluride

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Synthesis, Superstructure, and Vacancy‐Ordering in 2H‐Cu_xTa_1+ySe₂ (x, y = 0.52, 0 and 0.16, 0.08)

Forcing substitution of tantalum by copper in 1T-TaS₂: synthesis, structure and electronic properties of 1T-Cu_xTa_1−xS₂

Forcing substitution of tantalum by copper in 1T-TaS₂: synthesis, structure and electronic properties of 1T-Cu_xTa_1−xS₂

Design, Synthesis, Crystal Structure, and Thermal Studies of Ni_0.779SbF₃(SO₄): A New Electrode Material for Electrochemical Supercapacitors