Physicochemical characterization and catalytic performance of Fe doped CuS thin films deposited by the chemical spray pyrolysis technique

Rouchdi, M.; Habiba, Mamori; Salmani, E.; Syad, Badr Ait; Mounkachi, O.; Essajai, R.; Ez‐Zahraouy, H.; Chakchak, Hind; Hassanaı̈n, N.; Benyoussef, A.; Kenz, A. El; Mzerd, A.

doi:10.1007/s00339-021-04589-4

Cited by 16 publications

(7 citation statements)

References 60 publications

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“…The dopant states move down in energy relative to the SÀ S bond states as atomic number increases and the band gap correspondingly decreases (Table 3). The reduction in the band gap of CuS due to doping with Fe is consistent with a previous experimental study, [41] as well as reports of the effects of other transition metal dopants. [40,42] For Cr-doped CuS, there is also a significant contribution from dopant states at the VB maximum, which is not seen for the other dopants.…”

Section: Dopant Mulliken Chargessupporting

confidence: 92%

“…For example, in a study of M cation (M=Co 2+ , Ho 2+ ) doped CuS, [40] both dopants were found to cause an expansion of the CuS crystal structure (i. e., increased volume of the unit cell) and a red shift in the band gap, resulting in an enhancement of visible‐light absorption and photocatalytic activity compared to pure CuS. Similarly, doping CuS with Fe has been found to decrease the band gap from 2.47 eV to 1.98 eV and increase the optical absorption coefficient from 1.15×10 5 cm −1 to 1.71×10 5 cm −1 , [41] while Mn doping has been found to not only narrow the band gap (to 1.35 eV, compared to 1.58 eV for undoped CuS) but also reduce the recombination rate due to the Mn ions serving as trapping sites for photogenerated electrons [42] . Ni doping of CuS was found to decrease the charge transfer resistance and change the surface atomic environments and electronic structure, as well as introduce defects, resulting in an improvement in the oxygen evolution reaction (OER) activity of CuS [43] .…”

Section: Introductionmentioning

confidence: 99%

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Electronic Properties of Transition and Alkaline Earth Metal Doped CuS: A DFT Study

Oppong‐Antwi,

Huang,

Hart

2023

ChemPhysChem

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CuS is a unique semiconductor with potential in optoelectronics. Its unusual electronic structure, including a partially occupied valence band, and complex crystal structure with an S−S bond offer unique opportunities and potential applications. In this work, the use of doping to optimize the properties of CuS for various applications is investigated by density functional theory (DFT) calculations. Among the dopants studied, Ni, Zn, and Mg may be the most practical due to their lower formation energies. Doping with Fe, Ni, or Ca induces significant distortion, which may be beneficial for achieving materials with high surface areas and active states. Significantly, doping alters the conductor‐like behavior of CuS, opening a band gap by increasing bond ionicity and reducing the S−S bond covalency. Thus, doping CuS can tune the plasmonic properties and transform it from a conductor to an intrinsic fluorescent semiconductor. Ni and Fe doping give the lowest band gaps (0.35 eV and 0.39 eV, respectively), while Mg doping gives the highest (0.86 eV). Doping with Mg, Ca, and Zn may enhance electron mobility and charge separation. Most dopants increase the anisotropy of electron‐to‐hole mass ratios, enabling device design that exploits directional‐dependence for improved performance.

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Section: Dopant Mulliken Chargessupporting

confidence: 92%

Section: Introductionmentioning

confidence: 99%

Electronic Properties of Transition and Alkaline Earth Metal Doped CuS: A DFT Study

Oppong‐Antwi,

Huang,

Hart

2023

ChemPhysChem

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“…CuS is a direct bandgap semiconductor material, which is well documented. 54,55 The E g value of CuS can be calculated according to Tauc's formula: (αhν) 2 = A(hν − E g ), where α, hν and A are the absorption coefficient, discrete photon energy and constant, respectively. The (αhν) 2 -hν curves of FL CuS and YS Mn-CuS are given in Fig.…”

Section: Possible Photocatalytic Mechanismmentioning

confidence: 99%

Template-free synthesis of Mn²⁺ doped hierarchical CuS yolk–shell microspheres for photocatalytic reduction of Cr(vi)

Sun¹,

Tan

Jin

et al. 2022

CrystEngComm

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“…These techniques include, e.g., flash evaporation, [146] vacuum evaporation in combination with sulfurization, [147] and spray pyrolysis. [148,149] However, as far as we are aware, the fabrication of copper-iron chalcogenide films with nano-or micropatterns has hardly been reported in the literature. This is particularly surprising in view of the plasmonic properties of copper iron chalcogenide nanostructures.…”

Section: Patterning and Self-assemblymentioning

confidence: 99%

Copper Iron Chalcogenide Semiconductor Nanocrystals in Energy and Optoelectronics Applications—State of the Art, Challenges, and Future Potential

Bhattacharyya

Balischewski

Pacholski

et al. 2023

Advanced Optical Materials

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I‐III‐VI2 semiconductor nanocrystals have been explored in countless optoelectronics and green energy applications. While indium‐based compounds are arguably the best‐known variants of these semiconductors and have been widely studied for their photophysical properties, other I‐III‐VI2 semiconductors are emerging as serious competitors. This review focuses on the current state of the art and recent progress made in the research and technology of one of the most promising competitors to indium‐based I‐III‐VI2 semiconductor nanocrystals, CuFeS2 nanocrystals. CuFeS2 is a promising alternative to indium‐based systems, mostly because many properties are competitive and because iron is much more abundant than indium. Replacing In(III) with Fe(III) would thus significantly alleviate the issue of raw material availability. The article highlights new synthesis approaches and summarizes and discusses advanced optical properties including surface plasmon resonance and luminescence properties. Moreover, potential applications in thermoelectric, photodetection, photothermal, and photovoltaics are illustrated and discussed. Finally, future perspectives for materials development, upscaling, and application in new processes and devices, such as self‐assembly, patterning, or plasmonic catalysis, are presented as well.

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Physicochemical characterization and catalytic performance of Fe doped CuS thin films deposited by the chemical spray pyrolysis technique

Cited by 16 publications

References 60 publications

Electronic Properties of Transition and Alkaline Earth Metal Doped CuS: A DFT Study

Electronic Properties of Transition and Alkaline Earth Metal Doped CuS: A DFT Study

Template-free synthesis of Mn²⁺ doped hierarchical CuS yolk–shell microspheres for photocatalytic reduction of Cr(vi)

Copper Iron Chalcogenide Semiconductor Nanocrystals in Energy and Optoelectronics Applications—State of the Art, Challenges, and Future Potential

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Physicochemical characterization and catalytic performance of Fe doped CuS thin films deposited by the chemical spray pyrolysis technique

Cited by 16 publications

References 60 publications

Electronic Properties of Transition and Alkaline Earth Metal Doped CuS: A DFT Study

Electronic Properties of Transition and Alkaline Earth Metal Doped CuS: A DFT Study

Template-free synthesis of Mn2+ doped hierarchical CuS yolk–shell microspheres for photocatalytic reduction of Cr(vi)

Copper Iron Chalcogenide Semiconductor Nanocrystals in Energy and Optoelectronics Applications—State of the Art, Challenges, and Future Potential

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Template-free synthesis of Mn²⁺ doped hierarchical CuS yolk–shell microspheres for photocatalytic reduction of Cr(vi)