Crystal quality, electrical and optical properties of single crystal pyrite films prepared by chemical vapor deposition under atmospheric pressure

Takahashi, Naoyuki; Yatomi, Takuma; Nakamura, Takato

doi:10.1016/j.solidstatesciences.2004.07.029

Cited by 15 publications

(6 citation statements)

References 17 publications

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“…The reaction temperatures of these syntheses varied from 130–600 °C depending on the specific combination of precursors and growth substrates. Recent atmospheric pressure syntheses employed the combination of FeCl 3 and thioacetamide reacted at 400–550 °C − or Fe(acac) 3 and TBDS reacted at 300 °C to produce iron pyrite thin films. Additional syntheses were also reported based on aerosol-assisted CVD of single-source precursors, plasma enhanced CVD using iron pentacarbonyl and H 2 S, and alternate MOCVD using iron pentacarbonyl and tertiarybutyl thiol or diethyl disulfide .…”

Section: Introductionmentioning

confidence: 99%

Direct Chemical Vapor Deposition Synthesis of Phase-Pure Iron Pyrite (FeS₂) Thin Films

et al. 2015

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The active substrate material for all successful phase-pure iron pyrite syntheses was cattierite, but a backing material was required for handling and in the case of device fabrication for forming a good electrical back-contact. The use of different backing materials was found to have no influence on phase-purity or the morphology of the as-synthesized iron pyrite films. As seen via SEM, the resulting morphologies (Figure S1) are indistinguishable relative to their backing material as long as a cattierite layer was present during synthesis, opening up the possibility for use of any electrical back-contact material limited only by the resistance of the desired backing material to sulfidation during the CVD process.

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Section: Introductionmentioning

confidence: 99%

Direct Chemical Vapor Deposition Synthesis of Phase-Pure Iron Pyrite (FeS₂) Thin Films

et al. 2015

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“…Moreover, a number of papers are devoted to structure calculation from first principles [11,39,[42][43][44]. The experimental structural data concern natural crystals [13,23,45,46], synthetic bulk crystals [5,23,[47][48][49][50][51][52], and pure and doped polycrystalline [15,16,53] and monocrystalline [54] thin layers (see Table 1). Systematic, combined or comparative studies involve, e.g.…”

Section: Introductionmentioning

confidence: 99%

“…Systematic, combined or comparative studies involve, e.g. XPS and theoretical investigation of pyrite surface [36], X-ray diffraction (XRD) and XPS study of high-quality thin FeS 2 films [54], the variation of structural properties with Fe:S ratio [5,15,16] and a study of synthetic and natural crystals [23]. The (minor) discrepancies between the reported a and x values are due to both, the sample properties (nonstoichiometry, impurities in mineral samples) as well as to instrumental factors.…”

Section: Introductionmentioning

confidence: 99%

Rietveld refinement study of pyrite crystals

Paszkowicz¹,

Leiro²

2005

Journal of Alloys and Compounds

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“…The mineral has little economic value, but it is associated with valuable minerals of sphalerite, galena and chalcopyrite . The FeS 2 has two polymorphs with a cubic (pyrite) and orthorhombic (marcasite) systems, but the second polymorph is less frequent than the first one . Pyrite structure is similar to that of sodium chloride salt; Fe 2+ is replaced for sodium (Na 1+ ) and in the center of the S–S bond in the position of chloride anion (Cl 1‐ ).…”

Section: Introductionmentioning

confidence: 99%

A comparative DFT study of Fe³⁺ and Fe²⁺ ions adsorption on (100) and (110) surfaces of pyrite: An electrochemical point of view

Nourmohamadi

Aghazadeh

Esrafili

2019

Surface & Interface Analysis

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Pyrite acts as a catalyst in the mineral processing, and the speed of ferric ion reduction and mineral decomposition increases with increasing cathodic points. In this study, the ferric ion interaction on the (100) and (110) surfaces of pyrite was studied using the density functional theory calculations. The analysis of stability, density of states, and electron density were performed to understand the interaction between the ferric ion and pyrite surfaces. The results showed that pyrite surface is chemically active and tends to absorb ferric ion between two surface sulfur atoms. The hyperconjugation between the 3d orbital of ferric ion and the 3p or 3d orbitals of surface atoms provides the conditions for the Fe 3+ ion adsorption. The molecular orbital (MO) and electron density analyses indicate that the 3p orbitals of S atoms play a more important role in bonds formations relative to the 3d orbitals. The (110) surface is more active, and the adsorption energy is larger than that of surface (100), which is the result of decreased cation coordination and the presence of sulfur at the surface. Subsequently, the interaction of the Fe 2+ ion, as product of Fe 3+ ion reduction and its competitor for adsorption, on the surfaces was studied. The Fe 2 + ion adsorbs stronger at the surface of (110), and the adsorption energies at (100) and (110) surfaces were obtained as −24 and −47 kcal/mol, respectively. In general, the Fe 3+ ion is a stronger oxidizing agent than Fe 2+ on pyrite surfaces. K E Y W O R D Sadsorption, density functional theory, ferric ion, pyrite surfaces, reduction

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Crystal quality, electrical and optical properties of single crystal pyrite films prepared by chemical vapor deposition under atmospheric pressure

Cited by 15 publications

References 17 publications

Direct Chemical Vapor Deposition Synthesis of Phase-Pure Iron Pyrite (FeS₂) Thin Films

Direct Chemical Vapor Deposition Synthesis of Phase-Pure Iron Pyrite (FeS₂) Thin Films

Rietveld refinement study of pyrite crystals

A comparative DFT study of Fe³⁺ and Fe²⁺ ions adsorption on (100) and (110) surfaces of pyrite: An electrochemical point of view

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Crystal quality, electrical and optical properties of single crystal pyrite films prepared by chemical vapor deposition under atmospheric pressure

Cited by 15 publications

References 17 publications

Direct Chemical Vapor Deposition Synthesis of Phase-Pure Iron Pyrite (FeS2) Thin Films

Direct Chemical Vapor Deposition Synthesis of Phase-Pure Iron Pyrite (FeS2) Thin Films

Rietveld refinement study of pyrite crystals

A comparative DFT study of Fe3+ and Fe2+ ions adsorption on (100) and (110) surfaces of pyrite: An electrochemical point of view

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Direct Chemical Vapor Deposition Synthesis of Phase-Pure Iron Pyrite (FeS₂) Thin Films

Direct Chemical Vapor Deposition Synthesis of Phase-Pure Iron Pyrite (FeS₂) Thin Films

A comparative DFT study of Fe³⁺ and Fe²⁺ ions adsorption on (100) and (110) surfaces of pyrite: An electrochemical point of view