Preparation and characterization of Cu2Six Sn1‐xS3

Toyonaga, Kotoba; Araki, Hideki

doi:10.1002/pssc.201400296

Cited by 11 publications

(9 citation statements)

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“…However, the gap energy of pure CSS is surprisingly large and does not follow the linear trend. This is confirmed by experimental measurement . The trend of the calculated gap energies is comparable to the on from experimental measurements by Toyonaga and Araki, Umehara et al , and Araki et al .…”

Section: Resultssupporting

confidence: 89%

“…Cu 2 SnS 3 (CTS), with monoclinic structure, is considered as an absorber material, and the conversion efficiencies of 4.63 and 4.29% are obtained by Nakashima et al and by Kanai et al , respectively. Theoretically, the band‐gap energy of CTS is estimated to be between 0.8 and 0.9 eV , which is in good agreement with experimental data . Since Ge and Si are group‐IV elements as Sn, it is expected to tailor the band‐gap energies by alloying Sn in CTS by Ge or Si.…”

Section: Introductionsupporting

confidence: 75%

“…Araki et al synthesized a solar cell using Cu 2 GeS 3 (CGS) as an absorber, which has an efficiency of 1.70%, and the gap of CGS is between 1.5 and 1.6 eV [9]. The band-gap energy of Cu 2 SiS 3 (CSS) is as high as 2.56 eV, but alloying Sn with Si the band-gap energy of Cu 2 Sn 0.5 Si 0.5 S 3 decreases to 1.40 eV according to measurements by Toyonaga et al [6]. To our knowledge, there is no PV cell fabricated based on compounds alloying Sn with Si In this work, the electronic and optical properties of CTGS and CTSS are theoretically explored by firstprinciples density functional theory (DFT) calculations.…”

mentioning

confidence: 99%

“…3 Results and discussion 3.1 Crystal structure The ternary Cu 2 MS 3 compounds where M ¼ Sn, Ge, and Si crystallize in monoclinic structure (Cc; space group no. 9) [6,9]. There are 12 atoms in the primitive cell.…”

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confidence: 99%

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Exploring the electronic and optical properties of Cu₂Sn_1−xGe_xS₃ and Cu₂Sn_1−xSi_xS₃ (x = 0, 0.5, and 1)

Chen

Persson

2017

Physica Status Solidi (b)

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In order to accelerate for environmental friendly thin-film photovoltaic industry, earth-abundant, non-toxic, and low-cost absorber materials are demanded. We study the compounds of Cu 2 Sn 1-x Ge x S 3 and Cu 2 Sn 1-x Si x S 3 (x = 0, 0.5, and 1) employing first-principles method within the density functional theory. Comparable band dispersions for all compounds are found. Moreover, the band-gap energies E g of those materials can be tailored by cation alloying the Sn atoms with Ge or Si. The gap energies of Cu 2 Sn 1-x Ge x S 3 and Cu 2 Sn 1-x Si x S 3 , with x = 0, 0.5, and 1, vary almost linearly from 0.83 to 1.43 and 2.60 eV, respectively. However, the gap energy of Cu 2 SiS 3 does not follow the linear relation for x > 0.8. The effective electron masses of lowest conduction band at the Γ-point are relatively isotropic for all materials, which are between 0.15 and 0.25 m 0 in (010) direction, and between 0.13 and 0.22 m 0 in (001) direction. On the other hand, the effective hole masses of topmost valence band at the Γ-point show very strong anisotropy for all compounds. In the (010) direction, the hole masses are estimated to be between 1.01 and 1.85 m 0 , while between 0.11 and 0.41 m 0 in the (001) direction. Calculations reveal that all compounds have relatively high absorption coefficients, comparable with that of Cu 2 ZnSnS 4 . However, the absorption coefficients in the energy region E g + 0.5 to E g + 1 eV are higher for Cu 2 GeS 3 , Cu 2 SiS 3 , and Cu 2 Sn 0.5 Si 0.5 S 3 compared with Cu 2 ZnSnS 4 . Here, a dense k-mesh is required in order to observe the details of absorption spectra, especially near band-gap region. The high-frequency dielectric constants of all compounds are between 6.2 and 7.5, which are similar to the one of Cu 2 ZnSnS 4 (~6.7). Therefore, Cu 2 Sn 1-x Ge x S 3 and Cu 2 Sn 1-x Si x S 3 can be potential candidates as absorber materials in thin-film solar cells.

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Section: Resultssupporting

confidence: 89%

Section: Introductionsupporting

confidence: 75%

mentioning

confidence: 99%

mentioning

confidence: 99%

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Exploring the electronic and optical properties of Cu₂Sn_1−xGe_xS₃ and Cu₂Sn_1−xSi_xS₃ (x = 0, 0.5, and 1)

Chen

Persson

2017

Physica Status Solidi (b)

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“…The bandgap energy of Cu2SiS3 is as high as 2.56 eV, but alloying Sn with Si the band-gap energy of Cu2Sn0.5Si0.5S3 decreases to 1.40 eV according to measurements by Toyonaga et al[112]. To our knowledge, there is no PV cell fabricated based on compounds alloying Sn with Si in CTS.…”

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confidence: 70%

Solar Energy Capture Materials

2019

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Herein we investigate the structural, electronic, and optical properties of emerging copper-based chalcogenides, employing atomistic first-principles computational method within the density functional theory. The fundamental material characteristics of the compounds are analysed, and the optoelectronic performances are improved by alloying with isovalent elements. In order to develop inorganic photovoltaics based on ultrathin photon-absorbing film (i. e., with thicknesses d < 100 nm), the material shall exhibit optimized band-gap energy Eg as well as having a very high absorption coefficient α(ω), especially for photons energies in the lower spectrum: Eg ≤ E < (Eg + 2 eV). To develop high-efficient solar cells we therefore suggest to tailor-make the materials to form direct gap multi-valley band edges, and energy bands with rather flat dispersions. That can typically be achieved by considering alloys with heavy elements that have relatively localized sp-like orbitals. With such tailored materials, we demonstrate that it is possible to reach a theoretical maximum efficiency as high as ηmax ≈ 30% for film thicknesses of d ≈ 50-100 nm. 4.1 Introduction In this work, we theoretically investigate inorganic solar cell materials by means of first-principles atomistic methods within the framework of the density functional theory (DFT). The aim is to further accelerate the progress of developing environmentally friendly p-n junction photovoltaics (PV), especially towards technologies with high-efficient and inexpensive ultrathin films. Crystalline silicon (c-Si) is today by far the most commercialized materials in PV modules with above 90% of the market [1], despite having indirect gap with band-gap energy Eg ≈ 1.2 eV. For laboratory solar cell, the energy conversion efficiency for single crystal c-Si without concentrator is ηmax = 25.8% (Rev. 10-30-2017 [2]), but the active absorber material is rather thick, often 100-200 μm due to insufficient absorption. Thin-film PV technologies rely on 100 times thinner layer (typically around 1 μm), and the absorbers must therefore have higher capacity to absorb the sunlight in the energy region from ~1 to ~3 eV. The most traditional inorganic solar cells [2] are based on either amorphous silicon (a-Si or its hydrogenated compound a-Si:H with Eg = 1.7 eV and ηmax = 14.0%), cadmium telluride (CdTe; Eg = 1.5 eV and ηmax = 22.1%), thin-film gallium arsenide (GaAs; Eg = 1.5 eV and ηmax = 28.8%), or copper indium gallium selenide (CuIn1-xGaxSe2; Eg ≈ 1.2 eV for x = 0.3 and ηmax = 22.6%), and these materials have their "pros and cons" in terms of prospective large-scale production. Developments of even thinner absorber materials, i.e., for ultrathin inorganic solar cells, is an emerging concept to produce competitive PV cells or to complement the c-Si technologies with a proper top-cell in tandem structures. Here, ultrathin implies absorber layers with thicknesses less than 100 nm (perhaps as thin as 10-30 nm), which is then at least more than 10 times thinner than in the traditional thin...

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Effect of cover annealing on Cu2SnS3 thin films deposited by dual-source fine-channel mist chemical vapor deposition

Tanaka,

Okamura,

Saito

et al. 2023

J Mater Sci: Mater Electron

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Preparation and characterization of Cu₂Si_x Sn_1‐xS₃

Cited by 11 publications

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Exploring the electronic and optical properties of Cu₂Sn_1−xGe_xS₃ and Cu₂Sn_1−xSi_xS₃ (x = 0, 0.5, and 1)

Exploring the electronic and optical properties of Cu₂Sn_1−xGe_xS₃ and Cu₂Sn_1−xSi_xS₃ (x = 0, 0.5, and 1)

Solar Energy Capture Materials

Effect of cover annealing on Cu2SnS3 thin films deposited by dual-source fine-channel mist chemical vapor deposition

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Preparation and characterization of Cu2Six Sn1‐xS3

Cited by 11 publications

References 0 publications

Exploring the electronic and optical properties of Cu2Sn1−xGexS3 and Cu2Sn1−xSixS3 (x = 0, 0.5, and 1)

Exploring the electronic and optical properties of Cu2Sn1−xGexS3 and Cu2Sn1−xSixS3 (x = 0, 0.5, and 1)

Solar Energy Capture Materials

Effect of cover annealing on Cu2SnS3 thin films deposited by dual-source fine-channel mist chemical vapor deposition

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Preparation and characterization of Cu₂Si_x Sn_1‐xS₃

Exploring the electronic and optical properties of Cu₂Sn_1−xGe_xS₃ and Cu₂Sn_1−xSi_xS₃ (x = 0, 0.5, and 1)

Exploring the electronic and optical properties of Cu₂Sn_1−xGe_xS₃ and Cu₂Sn_1−xSi_xS₃ (x = 0, 0.5, and 1)