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a) Illustration showing the proposed three‐stage growth mechanism for BaZrS3. b) X‐ray diffraction (XRD) patterns and c) Raman spectra for thin‐film samples sulfurized at temperatures of 375, 500, 525, and 575 °C for 5 min, respectively.
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Chalcogenide perovskites are promising semiconductor materials with attractive optoelectronic properties and appreciable stability, making them enticing candidates for photovoltaics and related electronic applications. Traditional synthesis methods for these materials have long suffered from high‐temperature requirements of 800–1000 °C. However, th...
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... 19 Vincent et al. used a similar approach and found conversion to BaS 3 at 375°C and at an estimated sulfur partial pressure of 0.28 × 10 5 Pa. 18 This measurement is within the range of pressures we predict for BaS 3 stability. After removing the sulfur source from the ampule, Vincent et al. observed decomposition into BaS 2 at 575°C. ...
... Vincent et al. report conversion of a ZrH 2 precursor to ZrS 3 at 500°C and a sulfur partial pressure of 3.3 × 10 4 Pa, which lies in the predicted region of ZrS 3 formation. 18 We find that ZrS 3 is formed across a wider range of temperatures and pressures than BaS 3 . For example, at 500°C, ZrS 3 is formed above 2 × 10 2 Pa, compared to 3 × 10 5 Pa for BaS 3 . ...
... To confirm this, they annealed BaS and ZrS 2 powder in a sealed ampoule with an excess of sulfur to obtain BZS at 575 • C after 48 h. When using ZrS 3 instead, they obtained phase pure BZS only after 12 h under the same conditions, demonstrating the suggested idea that ZrS 3 is a suitable precursor for the synthesis of BZS [52]. As the works of both groups show, BaS 3 can be used as a liquid flux for the Crystals 2024, 14, 267 5 of 18 synthesis of BZS. ...
... They also agree on the importance of the sulfur amount and the sulfur partial pressure, respectively, which are correlated to another. Both were able to extend their work on other chalcogenide perovskites like BaHfS 3 [51,52]. Their results show, that BaS 3 is suitable as a precursor for the synthesis of BZS. ...
Current research efforts in the field of the semiconducting chalcogenide perovskites are directed towards the fabrication of thin films and subsequently determine their performance in the photovoltaic application. These efforts are motivated by the outstanding properties of this class of materials in terms of stability, high absorption coefficient near the band edge and no significant health concerns compared to their halide counterparts. The approach followed here is to use stacked precursor layers and is adopted from other chalcogenide photovoltaic materials like the kesterites and chalcopyrites. The successful synthesis of BaZrS3 from stacked layers of BaS and Zr and annealing at high temperatures (~1100 °C) with the addition of elemental sulfur is demonstrated. However, the film shows the presence of secondary phases and a flawed surface. As an alternative to this, BaS3 could be used as precursor due to its low melting point of 554 °C. Previously, the fabrication of BaS3 films was demonstrated, but in order to utilize them in the fabrication of BaZrS3 thin films, their microstructure and processing are further improved in this work by reducing the synthesis temperature to 300 °C, resulting in a smoother surface. This work lays the groundwork for future research in the fabrication of chalcogenide perovskites utilizing stacked layers and BaS3.
... . 44 These reports are a major accomplishment in producing BaZrS 3 . They used processing temperatures similar to those of traditional absorbers, which is a significant advancement. ...
BaZrS3 chalcogenide perovskites have emerged as a promising absorber due to their exceptional properties. However, there are no experimental reports on the applicability of BaZrS3 in photovoltaics. Thus, theoretical knowledge of device structure engineering is essential for its successful fabrication. In this regard, we have proposed various BaZrS3 device configurations by altering 12 electron transport layers (ETLs) in combination with 13 hole transport layers (HTLs) using SCAPS-1D, wherein a total of 782 devices are simulated by tuning the thickness, carrier concentration, and defect density of BaZrS3, ETLs, and HTLs. Interestingly, the absorber’s thickness optimization enhanced the absorption in the device by 2.31 times, elevating the generation rate of charge carriers, while the increase in its carrier concentration boosted the built-in potential from 0.8 to 1.68 V, reducing the accumulation of charge carriers at the interfaces. Notably, on further optimization of ETL and HTL combinations, the best power conversion efficiency (PCE) of 28.08% is achieved for FTO/ZrS2/BaZrS3/SnS/Au, occurring due to the suppressed barrier height of 0.1 eV at the ZrS2/BaZrS3 interface and degenerate behavior of SnS, which increased charge carrier transportation and conductivity of the devices. Upon optimizing the work function, an ohmic contact is achieved for Pt, boosting the PCE to 28.17%. Finally, the impact of Ti alloying on BaZrS3 properties is examined on the champion FTO/ZrS2/BaZrS3/SnS/Pt device where the maximum PCE of 32.58% is obtained for Ba(Zr0.96,Ti0.04)S3 at a thickness of 700 nm due to extended absorption in the NIR region. Thus, this work opens doors to researchers for the experimental realization of high PCE in BaZrS3 devices.
... simple and efficient methods for their deposition as thin films. 14,15 Many synthetic approaches have been proposed for the synthesis of BaZrS 3 and/or BaHfS 3 , such as: ...
A simple synthetic approach to BaZrS3, BaHfS3, and their solid solutions is presented and discussed here. The synthesis is performed under relatively mild conditions (T = 500°C) and is complete in a few hours. The reactants are powdered BaS, Me (Me: Zr, Hf) and S in a ratio 1:1:3, mixed and sealed under vacuum in borosilicate glass ampoules. No purification is usually required, and the yield is quantitative. The low synthesis temperature allows for the use of borosilicate glass as container material instead of silica glass, thus lowering the costs and simplifying the sealing of the reaction vessel; furthermore, the use of expensive ZrS2 and HfS2 is avoided. The same procedure was successfully used for the synthesis of solid solutions BaHf1‐xZrxS3 that were always obtained as crystalline single‐phase materials. The solid solutions display optical and structural properties that vary in a linear fashion with the composition and are intermediate between those of BaZrS3 and BaHfS3. The possibility of varying the band gap of the material between 1.78 (BaZrS3) and 2.11 eV (BaHfS3) in a continuous way by simply adjusting the Hf/Zr ratio is very intriguing for potential applications in multi‐junction and in‐door photovoltaic applications and light emitting devices.
... Vincent et al. [101] conducted a comprehensive investigation of a solution processing method to comprehend the underlying mechanism and devise methodologies for fabricating high-quality thin films of large-grain BaZrS 3 perovskite at moderate temperatures. The study revealed that a barium polysulfide liquid flux plays a critical role in the rapid synthesis of the perovskite, and this mechanism was successfully applied to BaHfS 3 perovskite as well. ...
Perovskite materials, with their unique photovoltaic properties, have become the fundamental building
blocks of photovoltaic and solar cell technology, making them an attractive option to reduce carbon
emissions and the use of fossil fuels. Due to their exceptional performance and ease of solution processing,
lead-based perovskites have become the primary materials in photovoltaics in the current hunt for in-
expensive and ecologically friendly energy production methods. Unfortunately, their expansion and mass
commercialization are severely hindered by lead toxicity. Therefore, lead-free perovskites are regarded as a
blessing for the evolution of photovoltaic technology in order to satisfy the undeniable demand for energy. In this context, chalcogenide perovskites have just recently come to the attention of researchers as extremely reliable, earth-abundant, as well as nontoxic alternatives for a variety of energy conversion applications, not just photovoltaics. Chalcogenide perovskites are excellent alternatives for resolving difficult problems associated with halide perovskites, including their instability in the influence of moisture and the existence of the harmful element lead. Among the chalcogenide perovskites, BaZrS3, a ternary compound,
has emerged as an appealing alternative for photovoltaic applications because it crystallizes in a perovskite-kind structure. It is a new class of photovoltaic semiconductors having a specific gap value that significantly affects the efficiency of photovoltaic cells. In this work, various synthesis methods regarding BaZrS3 were discussed. The highly remarkable properties of BaZrS3 are also presented, which provides stronger evidence for future research into BaZrS3. Current challenges and future trends in the field of chalcogenide perovskites were also discussed.
... Vincent et al. [101] conducted a comprehensive investigation of a solution processing method to comprehend the underlying mechanism and devise methodologies for fabricating high-quality thin films of large-grain BaZrS 3 perovskite at moderate temperatures. The study revealed that a barium polysulfide liquid flux plays a critical role in the rapid synthesis of the perovskite, and this mechanism was successfully applied to BaHfS 3 perovskite as well. ...
The Bulk (100-x)Ge3Se7 - (x)As2Te3 (0 ≤ x ≤ 30) glassy alloys were prepared using the melt quenching technique. The elastic moduli (Bulk (K), Micro-hardness (H), Young (Y)), and Poisson’s ratio (Pr) of the prepared glasses have been determined using the measured values of the ultrasonic velocities and density (ρ). Values of ρ were measured, then the molar volume (Vm) was estimated theoretically. The DSC thermograms are used to determine the glass transition temperature (Tg). The thermal evaporation method was used to prepare the (100-x)Ge3Se7- (x)As2Te3 (0 ≤ x ≤ 30) thin films under a vacuum of about 10⁻⁴Pa. The absorbance (A) of the films in the spectral range from 0.45 to 0.85 μm has been measured, then the absorption coefficient (α) and energy gap (Eg) were determined. The Chemical Bond Approach (CBA) has been used successfully to estimate theoretically various physical and structural characteristics of the studied system. Theoretical values of Eg and Tg have been obtained using different methods. The results proved a remarkable agreement between the theoretical and experimental values for both the Eg and Tg. The Eg values decreased from 2.1 to 1.73 eV by increasing the As2Te3 content from 0 to 30 at. %. Therefore, these compounds can be used as an absorbing layer for electromagnetic radiation in photovoltaic devices and sensors.
Chalcogenide perovskites are a family of compounds related to perovskite structures or compositions, which have witnessed rapid advances in recent years. They possess favorable properties such as high stability, low toxicity, direct band gaps, good carrier transport abilities, strong light absorption, and potential luminescent properties, making them stand out in emerging applications, such as photovoltaics, photodetectors, light-emitting devices, and photocatalysts, among others. In this review, we aim to provide a comprehensive overview of the properties, synthesis, and applications of chalcogenide perovskites. First, we first survey the reported material structures/compositions and current understanding of their structural/optical/electrical properties, mechanics, magnetics, and stabilities. Furthermore, we discuss the synthesis strategies of these materials covering various material types such as powders, pellets, thin films, nanocrystals, and single crystals, with a focus on their potential applications, including photovoltaics, photodetectors, and other devices. Finally, we outline a brief conclusion and some prospects for the further research of chalcogenide perovskites, thus promoting more studies and developments in this field. This review can provide new insights into the fundamental properties and potential applications of chalcogenide perovskites, and thereby facilitating their further studies and developments.
This article encapsulates the science and engineering that goes into solution processed solar cells, focusing on a variety of established and emerging metal chalcogenide materials.
AgInSe2 is a promising direct bandgap thin-film material with a rare n-type conductivity. Similar to thin film photovoltaic materials such as Cu(In,Ga)Se2 (CIGSe), which have achieved efficiencies as high as...
Chalcogenide perovskite materials came into the picture of photovoltaic technology since 2015. Their admirable structural, electronic and optical properties make them highly promising for solar energy conversion. They have immense potential to solve the stability and toxicity issues of conventional perovskite solar cells. The maximum theoretical power conversion efficiency reported for them is about 30 % which is similar to CH3NH3PbI3 perovskite material. However their application in photovoltaics is limited by several challenges. In this review, we tried to provide an overview of the structural features of the chalcogenide perovskite materials and critically highlighted computational and synthetic accomplishments in this area. Various techniques developed for synthesizing these materials so far, have also been summarized. Along with that, the challenges associated in designing these materials for improved optoelectronic properties are also addressed. Serious research efforts are urgently needed for the realization of the dream of chalcogenide perovskite material based solar cells in terms of optimization of optoelectronic properties, synthetic cost, processing of thin films and application in tandem solar cell devices. This review may facilitate further progress in chalcogenide perovskite material based thin film solar cell in the future.
