Understanding the effect of the carbon on the photovoltaic properties of the Cu2ZnSnS4

Ahmoum, Hassan; Boughrara, M.; Su’ait, Mohd Sukor; Li, Guojian; Chopra, S.; Wang, Qiang; Kerouad, M.

doi:10.1016/j.matchemphys.2020.123065

Cited by 23 publications

(13 citation statements)

References 61 publications

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“…Besides, the light absorption capacity of CZTS is verified theoretically by the optical absorption spectrum (Figure 2b), the absorption coefficient in the visible light range is as high as 10 5 cm −1 , and two absorption peaks generate at 450 and 550 nm, respectively, which are in agreement with the results of both experiment and theory. 51,52 Hence, in the presence of visible light, excellent electronic and optical properties result in the electrons of CZTS being easily excited from the VBM to the CBM and filled in the Sn−S antibonding orbital in favor of the reaction.…”

Section: Resultsmentioning

confidence: 99%

Unveiling the Selectivity of CO₂ Reduction on Cu₂ZnSnS₄: The Effect of Exposed Termination

Kong

Zhang

et al. 2021

J. Phys. Chem. C

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With the advantage of excellent light absorption ability and earth-abundant elements, Cu2ZnSnS4 (CZTS) is widely applied in the photoelectrochemical (PEC) reduction of CO2. However, the microscopic mechanism of the CO2 conversion on CZTS is still unclear. Here, we have theoretically investigated the electronic properties of the CZTS to reveal the special bonding properties of CO2 under both exposed metal and sulfur terminations of the CZTS and the formation mechanisms of producing CO, HCOOH, and CH4 from a microscopic perspective. Our study shows that when the metal is exposed to the surface, CO2 will convert to HCOOH with a high selectivity with the limiting potential of 0.23 V (vs RHE). However, on the sulfur termination, the onset potentials of producing HCOOH, CO, and CH4 are all lower than 0.4 V, indicating the mix formations. These findings provide theoretical insight into the PEC experiments of CO2 reduction on CZTS.

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Section: Resultsmentioning

confidence: 99%

Unveiling the Selectivity of CO₂ Reduction on Cu₂ZnSnS₄: The Effect of Exposed Termination

Kong

Zhang

et al. 2021

J. Phys. Chem. C

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“…Since the distortion was calculated to be less than 1.0 % in all cases, it can be deduced that the crystal structure of the cell remains in the same phase and oxygen can dissolve in the structure. [78] Table 6 also shows that the bulk modulus of CZTS varied between 68 and 72 GPa depending on which site oxygen substituted. It is clearly seen that the substitution of oxygen with Cu reduced the bulk modulus the most.…”

Section: Chemelectrochemmentioning

confidence: 99%

“…al investigated the effect of C in the CZTS structure to understand the electronic and optical properties by using theoretical approaches. [78] They investigated lattice parameters, electronic band structure and optical properties of CZTS films that contain carbon impurities at different substitution sites. Considering the high oxygen concentration of the CZTS films that prepared in the present work, we used a first-principles approach to investigate the oxygen impurities at different sites using DFTbased FP-LAPW method.…”

Section: Chemelectrochemmentioning

confidence: 99%

“…The distortion of the cell parameters was computed using Eq. ( 5): [78] Distortion ¼ cðO x Þ À cðCZTSÞ cðCZTSÞ � 100 (5) where c(CZTS) and c(O x ) represent the c-axis lattice parameter of pure and oxygen doped CZTS, respectively, and x represents the element that oxygen substitutes. Since the distortion was calculated to be less than 1.0 % in all cases, it can be deduced that the crystal structure of the cell remains in the same phase and oxygen can dissolve in the structure.…”

Section: Chemelectrochemmentioning

confidence: 99%

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Fabrication of CZTS Films through a Combined Electrodeposition and Solution Process: An Experimental and First‐Principles Study

Katirci,

Onel,

Danaci

et al. 2023

ChemElectroChem

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Sulfurization has a critical role in preparation of CZTS films since the main drawback of CZTS is due to the presence of S‐based impurities. In general, sulfurization could be performed during or following annealing, or the entire CZTS structure could be prepared through sol‐gel. However, toxic gases are used for the former, and the latter takes prolonged times. Alternatively, a combined electrodeposition and solution process was proposed in the present work to prepare CZTS. Briefly, we electrodeposited CZT layers on a metal substrate, and then immersed the as‐prepared coating in a S containing solution for the sulfurization. The effects of electrodeposition time, electrodeposition order, current density, electrolyte compositions, sulfurization time, and annealing pressure were studied. Overall, the results show that S content of the films varied between 27 and 52 % depending on process parameters, thus, suggesting the effectiveness of the proposed approach regarding sulfurization. However, various secondary phases were also detected as well as considerable amount of oxygen impurity. Accordingly, we opted for a computational approach to elucidate the effect of oxygen impurities, and report that the band gap of the films varied between 0.59 and 0.05 eV depending on the presence and which sites oxygen atoms occupy.

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“…Cu 2 ZnSnS 4 (CZTS) is a strong material candidate for next-generation solar energy converters due to its high absorption coefficient and optimal band gap [ 1 ]. P-type chalcogenides are made of low-cost and earth-abundant elements (Cu, Zn, Sn, and S), unlike other thin-film solar cell technologies (CIS, CIGS, and CdTe) that contain expensive and/or toxic components [ 2 ].…”

Section: Introductionmentioning

confidence: 99%

Synthesis and Characterization of Cu2ZnSnS4 Thin Films Obtained by Combined Magnetron Sputtering and Pulsed Laser Deposition

et al. 2021

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Cu2ZnSnS4 (CZTS) is a complex quaternary material, and obtaining a single-phase CZTS with no secondary phases is known to be challenging and dependent on the production technique. This work involves the synthesis and characterization of CZTS absorber layers for solar cells. Thin films were deposited on Si and glass substrates by a combined magnetron sputtering (MS) and pulsed laser deposition (PLD) hybrid system, followed by annealing without and with sulfur powder at 500 °C under argon (Ar) flow. Three different Cu2S, SnS2, and ZnS targets were used each time, employing a different target for PLD and the two others for MS. The effect of the different target arrangements and the role of annealing and/or sulfurization treatment were investigated. The characterization of the absorber films was performed by grazing incidence X-ray diffraction (GIXRD), X-ray reflectometry (XRR), Raman spectroscopy, scanning electron microscopy, and regular transmission spectroscopy. The film with ZnS deposited by PLD and SnS2 and Cu2S by MS was found to be the best for obtaining a single CZTS phase, with uniform surface morphology, a nearly stoichiometric composition, and an optimal band gap of 1.40 eV. These results show that a new method that combines the advantages of both MS and PLD techniques was successfully used to obtain single-phase Cu2ZnSnS4 films for solar cell applications.

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Understanding the effect of the carbon on the photovoltaic properties of the Cu2ZnSnS4

Cited by 23 publications

References 61 publications

Unveiling the Selectivity of CO₂ Reduction on Cu₂ZnSnS₄: The Effect of Exposed Termination

Unveiling the Selectivity of CO₂ Reduction on Cu₂ZnSnS₄: The Effect of Exposed Termination

Fabrication of CZTS Films through a Combined Electrodeposition and Solution Process: An Experimental and First‐Principles Study

Synthesis and Characterization of Cu2ZnSnS4 Thin Films Obtained by Combined Magnetron Sputtering and Pulsed Laser Deposition

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Understanding the effect of the carbon on the photovoltaic properties of the Cu2ZnSnS4

Cited by 23 publications

References 61 publications

Unveiling the Selectivity of CO2 Reduction on Cu2ZnSnS4: The Effect of Exposed Termination

Unveiling the Selectivity of CO2 Reduction on Cu2ZnSnS4: The Effect of Exposed Termination

Fabrication of CZTS Films through a Combined Electrodeposition and Solution Process: An Experimental and First‐Principles Study

Synthesis and Characterization of Cu2ZnSnS4 Thin Films Obtained by Combined Magnetron Sputtering and Pulsed Laser Deposition

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Product

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Unveiling the Selectivity of CO₂ Reduction on Cu₂ZnSnS₄: The Effect of Exposed Termination

Unveiling the Selectivity of CO₂ Reduction on Cu₂ZnSnS₄: The Effect of Exposed Termination