Crystal structure analysis and refinement of digenite, Cu1.8S, in the temperature range 20 to 500 C under controlled sulfur partial pressure

Will, G.; Hinze, Ε.; Abdelrahman, A. R. M.

doi:10.1127/0935-1221/2002/0014-0591

Cited by 90 publications

(62 citation statements)

References 14 publications

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“…The stoichiometric Cu 2 S, on the other hand, has three polymorphs: cubic phase (Dg) at T ≥ 708 K, hexagonal one ( βCh) at T = 376-708 K, and monoclinic one (αCh) at T ≤ 376 K. 24 In the Dg phases of Cu 1.8 S and Cu 2 S, the sulfur atoms maintain a rigid sublattice, while the Cu ions are distributed at many possible positions. 25 It has been indicated that the Dg phase is a superionic phase having liquid-like mobile copper ions. 26 The TE properties of p-type Cu 1.8 S were reported by Ge et al 10 Polycrystalline samples of the αDg form were synthesized by using a combined process of mechanical alloying (MA) and pulsed electric current sintering (spark plasma sintering: SPS).…”

Section: B Digenite and Chalcocite (P-type)mentioning

confidence: 99%

Research Update: Cu–S based synthetic minerals as efficient thermoelectric materials at medium temperatures

2016

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Synthetic minerals and related systems based on Cu–S are attractive thermoelectric (TE) materials because of their environmentally benign characters and high figures of merit at around 700 K. This overview features the current examples including kesterite, binary copper sulfides, tetrahedrite, colusite, and chalcopyrite, with emphasis on their crystal structures and TE properties. This survey highlights the superior electronic properties in the p-type materials as well as the close relationship between crystal structures and thermophysical properties. We discuss the mechanisms of high power factor and low lattice thermal conductivity, approaching higher TE performances for the Cu–S based materials.

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Section: B Digenite and Chalcocite (P-type)mentioning

confidence: 99%

Research Update: Cu–S based synthetic minerals as efficient thermoelectric materials at medium temperatures

2016

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“…17 For example, when x is between 1.8 and 2, there are three kinds of mineral forms with different structures which have been experimentally reported, namely digenite (Cu 1.8 S), djurleite (Cu 1.93 S-Cu 1.96 S), and chalcocite (Cu 2 S). Among them, digenite crystallizes in a cubic structure (space group Fd3m) at room temperature, 18 while djurleite (space group P2 1 /n) and chalcocite (space group P2 1 /c) have similar monoclinic structures. 19 The crystal structure of digenite is based on an antifluorite-type subcell in which sulfur atoms form a cubic-close-packed framework.…”

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confidence: 99%

Electrical and thermal transports of binary copper sulfides CuxS with x from 1.8 to 1.96

et al. 2016

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In this study, a series of copper sulfides CuxS with x spanning from 1.8 to 1.96 was prepared and their crystal structures, elemental valence states, and thermoelectric properties were systematically studied. The valence state of Cu in CuxS is unchanged as the ratio of Cu/S varies, while the thermoelectric properties are very sensitive to the deficiency of Cu. In addition, the type of sulfur arrangement in the crystal structure also plays an important role on the electrical transports. Finally, the optimum Cu/S atomic ratios in the binary CuxS system were identified for high power factor and thermoelectric figure of merit.

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“…Formation of chalcopyrite or wurtzite CuInS 2 structure can be attributed to initially formed nuclei of Cu 2-x S structure [38]. When the first seed formed as Cu 2 S (Chalcite, hexagonal structure) after cation exchange reaction, the CuInS 2 formed as wurtzite structure and if the first nuclei formed as Cu 9 S 5 (Digenite, FCC anti-fluorite structure) after cation exchange reaction the CuInS 2 formed as chalcopyrite [1,31,[38][39][40].…”

Section: Resultsmentioning

confidence: 99%

“…When the first seed formed as Cu 2 S (Chalcite, hexagonal structure) after cation exchange reaction, the CuInS 2 formed as wurtzite structure and if the first nuclei formed as Cu 9 S 5 (Digenite, FCC anti-fluorite structure) after cation exchange reaction the CuInS 2 formed as chalcopyrite [1,31,[38][39][40]. Moreover, the strength of coordination between metal ions and functional groups was very important to control the structure, size or shape.…”

Section: Resultsmentioning

confidence: 99%

One-pot thermolysis synthesis of CuInS2 nanoparticles with chalcopyrite-wurtzite polytypism structure

Vahidshad

Tahir

Mirkazemi

et al. 2015

J Mater Sci: Mater Electron

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CuInS 2 nanoparticles as the visible (wurtzite, 1.67 eV) or near infrared (chalcopyrite, 1.50 eV) light absorbing material in thin film solar cells, were synthesized using facile, one step heating up method by dissolving of CuCl, InCl 3 and SC(NH 2 ) 2 as precursors in oleylamine (OLA) alone or in combination with oleic acid (OA) and 1-octadecene (ODE) as solvent. The phase, size, morphology, and size distribution were controlled by the coordination ability between solvent molecules and metal precursors, reaction temperature and time. The presence of higher amounts of thiourea or OA to OLA led to the formation of chalcopyrite phase in comparison to wurtzite structure. Also, higher reaction temperatures ([240°C) resulted in favour of more chalcopyrite phase and higher crystallinity but the nanoparticles got agglomerated. As synthesized nanoparticles was characterized by transmission electron microscopy, X-ray diffraction, X-ray photoelectron spectroscopy, high resolution-transmission electronic microscopy, ultravioletvisible-near infrared, photoluminescence. The high resolution TEM confirmed the existence of chalcopyrite structure along with wurtzite structure in the nanocrystal (polytypism). Well controlled chalcopyrite CuInS 2 triangular pyramidal shape with an average size ranging from *10-20 nm size was obtained by using 20 ml OLA or 20 ml OLA along with 4 ml OA and ODE, respectively, with 210°C heating up and 4 h annealing time.

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Crystal structure analysis and refinement of digenite, Cu1.8S, in the temperature range 20 to 500 C under controlled sulfur partial pressure

Cited by 90 publications

References 14 publications

Research Update: Cu–S based synthetic minerals as efficient thermoelectric materials at medium temperatures

Research Update: Cu–S based synthetic minerals as efficient thermoelectric materials at medium temperatures

Electrical and thermal transports of binary copper sulfides CuxS with x from 1.8 to 1.96

One-pot thermolysis synthesis of CuInS2 nanoparticles with chalcopyrite-wurtzite polytypism structure

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