Application In Photovoltaic Cells Research Articles

Evaluating the reactivity of polyvinyl alcohol/graphene nanocomposites

The synthesis and characterization of polyvinyl alcohol (PVA)/graphene nanocomposite films, through the solution casting technique, were thoroughly explored and studied. The integration of varying concentrations of graphene was systematically explored to enhance the structural and optical attributes of the PVA matrix. Comprehensive characterization employing X-ray Diffraction (XRD), Fourier-Transform Infrared (FTIR) Spectroscopy, and Ultraviolet–Visible (UV–Vis) Spectrophotometry revealed significant interactions between PVA and graphene, manifesting in a decrease in crystallinity and optical bandgap with increasing graphene content. DFT:B3LYP/6-31g(d,p) quantum mechanical level, corroborated these findings by indicating a diminished HOMO/LUMO bandgap energy. Additionally, molecular electrostatic potential mapping underscored an increase in PVA's reactivity post-graphene integration. The investigation further extends to evaluating global reactivity descriptors, providing insights through PDOS plots and QSAR analysis. The outcomes of this research underscore the potential of PVA/graphene nanocomposites for next-generation applications in flexible photovoltaic cells, transistors, and diodes.

Nitrogen-doped graphene quantum dots/ polyvinyl alcohol nanocomposite for photon management: Application in CIGS photovoltaic cells

The efficiency (η) of copper indium gallium selenide (CIGS) solar cells has been hampered by absorption losses that happen within the ZnO and CdS layers. A photon downconversion layer created from polyvinyl alcohol (PVA) and nitrogen-doped graphene quantum dots (NGQDs) composite (NGQDs/PVA) was implemented on the top of the cell to overcome this obstacle. Notably, the NGQDs/PVA layers, prepared at spin speeds of 3000, 4000, and 5000 rpm, exhibited optimal characteristics, demonstrating superior light absorption at low wavelengths along with elevated transmittance at longer wavelengths. The η was found to be highest for the layer prepared at 4000 rpm, accompanied by elevated values of short-circuit current (Jsc), open-circuit voltage (Voc), and fill factor (FF). Consequently, Cell #2 incorporating the champion NGQDs/PVA layer outperformed all other CIGS photovoltaic cells, showcasing an impressive enhancement of 8.96 % in Jsc, 1.62 % in Voc, 2.03 % in FF, and an overall η of 11.51 %. This champion cell significantly improves the performance of CIGS photovoltaics.

Optoelectronic properties, stability, and thermodynamic properties of 2D XSn2N4 (X = Cr, Mo, W) monolayers

Through first-principle calculations, we show innovative CrSn2N4, MoSn2N4 and WSn2N4 monolayers with high stability. The current results reveal that CrSn2N4 is a conductor-like material with metallic propensity, while MoSn2N4 and WSn2N4 are indirect bandgap semiconductors with narrow bandgaps of 0.16 eV and 0.39 eV, respectively. The mechanical characteristics of CrSn2N4, MoSn2N4, and WSn2N4 are stable, with Young's modulus and Poisson's ratio greater than those of graphene and C2F4. Besides, the thermodynamic characteristics were tested, and it was observed that the thermodynamic stability of MoSn2N4 was superior to the other two materials. The optical properties show the layered MoSn2N4 and WSn2N4 have strong light absorption and a wide absorption range, which have the potential for application in photovoltaic cells and devices. The spectral limits of the maximum efficiencies of 22 % and 14 % for MoSn2N4 and WSn2N4, respectively, are greater than those of SnO2. Thus, the three novel two-dimensional materials have potential applications in the area of photoelectric devices.

Ab initio investigation of mechanical, electronic and optical properties in the orthorhombic [formula omitted] inorganic perovskite

This study employs a first-principles approach to comprehensively investigate the structural, electronic, elastic, and optical properties of two distinct inorganic perovskite phases of CsPbI3, identified as C–CsPbI3 and O–CsPbI3. Utilizing the Wien2K code, simulations are conducted employing various density functional theory (DFT) approximations, including local density approximation (LDA), generalized gradient approximation (GGA), the modified Becke–Johnson potential (mBJ), and the Tran-Blaha modified Becke–Johnson potential (TB-mBJ). Our analysis demonstrates that the orthorhombic phase exhibits greater energetic stability and mechanical robustness compared to the cubic phase. Furthermore, optical analyses reveal a direct bandgap in the compound, with key parameters calculated and interpreted. Notably, both phases demonstrate exceptional electronic, mechanical, and optical properties, suggesting their potential applications in optoelectronics, photovoltaics, and photovoltaic cells. Consequently, this study positions both the cubic and orthorhombic phases of CsPbI3 as promising materials warranting further exploration and development in these technological domains.

Theoretical insights into the electronic and optical properties of lithium-based perovskite for solar cell applications

This study explores the influence of central metals and halide anions on the structural, electronic, and optical properties of LiBX3 perovskites (B = Ge, Sn, Pb, X = F, Cl, Br, I) in both unit cell and supercell configurations, aiming for potential applications in photovoltaic devices. Density functional theory calculations reveal that increasing the atomic radius of halogens and central metals directly affects the lattice parameters. Our research indicates that Ge and Sn-based perovskites (except for unit cell LiSnF3) exhibit semiconductor properties with direct band gap energies, while Pb-based perovskites in the unit cell configuration display an indirect band gap. Key factors contributing to the reduction of the band gap energy in most materials include the expansion of the atomic radius of halogens and the examination of perovskites in their supercell state, such that perovskites like LiGeI3, LiSnI3, and LiPbI3 represent a band gap value of 0.001 eV in their supercell configuration. Furthermore, the light absorption characteristics of these perovskites demonstrate a high absorption coefficient ranging from 105 to 106. Among the studied compounds, I-based perovskites exhibit the highest static dielectric constant, surpassing other perovskite variants, with for example, unit cell and supercell of LiSnI3 having static dielectric constant values of 38 and 70, respectively. Additionally, the investigation of perovskites in their supercell form suggests that the number of atoms in the network does not significantly impact their optical properties. In conclusion, based on various analyses, I-based perovskites are proposed as ideal candidates for application in Photovoltaic Solar Cells (PSCs).

Comprehensive DFT investigation of ternary thallium tetragonal crystals: assessing their viability for solar cell applications

To ascertain the suitability of the TlInX2 (X = S, Se, Te) tetragonal structures for photovoltaic applications, first-principles calculations were carried out using the pseudopotential plane wave method to assess the structural, electronic, elastic, and optical characteristics of the considered compounds via the DFT software CASTEP. For all three compounds, our calculated structural parameters were in excellent agreement with both the experimental and previous theoretical results. Our calculations provided the first predicted elastic constants for the TlInS2, TlInSe2 and TlInTe2 compounds. The three tetragonal systems were mechanically stable and exhibited pronounced and noticeable elastic anisotropy. Analysis of the optical properties revealed that TlInX2 (X = S, Se, Te) exhibited distinct absorption in the ultraviolet radiation range and pronounced optical anisotropy. The calculated bandgap values obtained using the HSE06 hybrid functional were 1.68 eV, 1.38 eV, and 1.36 eV for TlInS2, TlInSe2 and TlInTe2, respectively. These findings are of significant interest because they categorize all three compounds as promising candidates for use in photovoltaic cell applications.

Binary ZnS–ZnO films as an alternative buffer layer for solar cell applications

In this research, binary ZnS–ZnO films were fabricated by a two-step process, offering an alternative buffer layer solution for photovoltaic solar cell applications. ZnS films were attained through thermal evaporation, after which they were annealed in air at separate temperatures resulting in films containing both ZnS and ZnO phases. Structural, electrical, ellipsometric, optical, and surface properties were examined in detail to elucidate their applicability as a buffer layer in photovoltaic applications. X-ray diffraction patterns revealed that the films exhibit cubic ZnS and hexagonal ZnO crystal structures, wherein crystallite size is augmented with higher annealing temperatures. ZnS films exhibited a needle-shaped surface morphology, as confirmed through atomic force microscopy (AFM) and field emission scanning electron microscopy (FESEM) images. Annealing caused noteworthy modifications on the surfaces of the films. Additionally, absorption spectra denote two distinct absorption regions forming as a result of the annealing process, possibly indicating the emergence of ZnS and ZnO phases. Photoluminescence analyses demonstrate that binary ZnS–ZnO films exhibit greater emission intensities than single-phase ZnS films. Additionally, the annealing process caused the electrical resistivity of films to reduce from 1.28 × 105 to 3.84 × 101 Ω cm. These results suggest that binary ZnS–ZnO films produced via annealing can be considered as promising buffer layers in potential photovoltaic solar cell applications.

First-principles calculations to investigate impact of doping by chalcogen elements on the electronic, structural, and optical properties of SrTiO3 compounds

Doping techniques are commonly utilized to effectively modify the physical properties of a desired compound. In this study, we employed the first-principles DFT calculations with a GGA + TB-mBJ approach as implemented by the Wien2k code, by investigating the effects of oxygen group element concentrations on the structural, electronic, and optical properties of the perovskite substance SrTiO3. We calculated the formation energies of each doped structure to assess the viability of synthesis. The band gap is equal to 1.355 eV, 0.653 eV, and 0.632 eV for 12.5 % S, Se, and Te doped SrTiO3, respectively. For the pure SrTiO3, the band gap is 2.584 eV. According to our findings, raising the chalcogen concentrations resulted in a considerable decrease in band gaps and an improvement in the ability to absorb light in the visible range (380–790 nm), exceeding 105 cm−1 for Te doped SrTiO3 (STO). At zero frequency, the dielectric constant was found (ε1 (0)) to be 4.432 for SrTiO3 pure and 6.332 for SrTiO3 doped with Te (12.5 %) in GGA-PBE and (ε1 (0)) = 4.432 and 12.217 for GGA + mBJ. The optical conductivity of SrTO3 doped with Te is determined to be 0.322 * 104 /Ω.cm, in comparison to a value of 0.377 * 104/Ω.cm for mBJ. Our research revealed that raising the chalcogen concentrations significantly enhanced the electrical conductivity, as predicted, along with improvements in optical conductivity and reflectivity. SrTiO3-xYx (Y = S, Se, or Te) represents one of our quaternary alloys, demonstrating substantial potential as a promising material for advanced photovoltaic and solar cell applications. Our findings revealed that the doped materials exhibited significantly high absorption rates and productivity. We also examined additional optical parameters, including optical band gap, Urbach energy, and optical conductivity.

Electronic, Elastic, Optical, and Thermodynamic Properties Study of Ytterbium Chalcogenides Using Density Functional Theory

In this study, the structural, electronic, optical, elastic, and thermodynamic properties of Ytterbium chalcogenides YbX (X = S, Se and Te) were computed within the first principles using generalized gradient approximation (GGA) as implemented in the pseudopotential plane wave approach. The equilibrium total energy for YbX (X = S, Se, and Te) was calculated as a function of the energy cutoff, k-point grid, and lattice parameter. An optimized lattice parameter of 5.6, 5.66, and 6.136 Å were calculated for YbS, YbSe, and YbTe, respectively. The energy band gaps of YbS, YbSe, and YbTe computed are 1.14, 1.32, and 1.48 eV, respectively. In addition, the low band gap (less than 3 eV) for ytterbium chalcogenides indicated that they may have potential applications in photovoltaic cells and laser diodes. Moreover, the negative dielectric function value for a certain frequency range indicates that these compounds are suitable for specific optical and microwave circuit applications. The result of elastic and thermodynamic property computation reveals that ytterbium chalcogenides are mechanically and thermodynamically stable, which can be useful in a variety of electronic device applications.

Comparison Between Perovskite and Silicon for Photovoltaic Cell Applications and Future Industrial Prospects

Environmental concerns have evolved into an essential focal point within contemporary human progress. An increasing number of individuals are recognizing the paramount significance of safeguarding our environment and are actively engaged in crafting a sustainable developmental framework. An integral facet of sustainable progress is the adoption of clean energy, representing a pivotal paradigm shift in the global energy landscape. One remarkable manifestation of this shift is the utilization of photovoltaic (PV) cells, which adeptly transmute radiant light energy into electrical power. This paper delves into an exploration of the prevailing silicon photovoltaic cells widely accessible in the market, while also delving into the realm of perovskite photovoltaic cells, an experimental yet highly promising avenue. It endeavors to juxtapose these two technologies across various dimensions, including energy conversion efficiency, overall cost implications, and environmental repercussions. Evidently, silicon and perovskite technologies manifest distinct advantages and drawbacks in different contexts. It is unequivocally established that both forms of photovoltaic cells hold profound implications for the future trajectory of energy consumption and the overarching ethos of sustainable development.

Predicting band gaps of ABN3 perovskites: an account from machine learning and first-principle DFT studies.

The present paper is primarily focused on predicting the band gaps of nitride perovskites from machine learning (ML) models. The ML models have been framed from the feature descriptors and band gap values of 1563 inorganic nitride perovskites having formation energies <-0.026 eV and band gaps ranging from ∼1.0 to 3.1 eV. Four supervised ML models such as multi-layer perceptron (MLP), gradient boosted decision tree (GBDT), support vector regression (SVR) and random forest regression (RFR) have been considered to predict the band gaps of the said systems. The accuracy of each model has been tested from mean absolute error, root-mean-square error and determination coefficient R2 values. The bivariate plots between the predicted and input band gaps of the compounds for both the training and test datasets have also been estimated. Additionally, two ABN3-type nitride perovskites CeBN3 (B = Mo, W) have been selected and their electronic band structures and optoelectronic properties have been studied from density functional theory (DFT) calculations. The band gap values of the said compounds have been estimated from DFT calculations at PBE, HSE06, G0W0@PBE, G0W0@HSE06 level of theories. The present study will be helpful in exploring the ML models in predicting the band gaps of nitride perovskites which in turn may bear potential applications in photovoltaic cells and optical luminescent devices.

Elaboration and Characterization of Transparent Electrodes of ZnO Doped Al for Application in Organic Photovoltaic Cells

Elaboration and Characterization of Transparent Electrodes of ZnO Doped Al for Application in Organic Photovoltaic Cells

Retracted: Studying the Effect of Metallic Precursor Concentration on the Structural, Optical, and Morphological Properties of Zinc Sulfide Thin Films in Photovoltaic Cell Applications

Retracted: Studying the Effect of Metallic Precursor Concentration on the Structural, Optical, and Morphological Properties of Zinc Sulfide Thin Films in Photovoltaic Cell Applications

Perovskite Solar Cell: Chemical Composition and Bandgap Energy via Machine Learning

The exponential growth in publications and applications of perovskite photovoltaic cells highlights their significance in energy conversion and carbon emissions mitigation. From 2009 to 2023, the efficiency of these cells has significantly increased from 3.9% to 25.7%. The adaptive capacity of perovskite structures for solar spectrum absorption and current displacement is strongly influenced by the bandgap energy, ideally situated between 1.3 and 1.7 eV. Although various perovskite compositions can potentially attain this energy range, the synthesis methodologies remain empirically driven, presenting challenges to experimental viability. In this context, leveraging experimental databases provided by global researchers emerges as an effective approach to expedite and enable research on perovskite structures for photovoltaic cells. This study utilized the comprehensive MaterialsZone database to feed machine learning algorithms, focusing on Support Vector Machine (SVM) and Random Forest (RF) methodologies to predict the bandgap energy in a targeted perovskite composition. By conducting synthesis experiments towards specific compositions guided by model predictions, it becomes feasible to efficiently achieve the desired bandgap energy. Such a strategy not only accelerates research progress but also serves to curtail costs associated with the synthesis of perovskite materials. The RF model exhibited an average percentage error of 5.13%, a standard deviation of the percentage error of 6.99%, and a Root Mean Square Error (RMSE) of 0.119. In contrast, the SVM model recorded an average percentage error of 4.05%, a standard deviation of the percentage error of 6.45%, and RMSE of 0.881. These developed models not only demonstrate high predictive capacity but also contribute substantively to the comprehension of the intricate relationship between the chemical composition and bandgap energy values of perovskites. By deploying machine learning algorithms, this work paves the way for targeted optimizations and considerable strides in the manufacturing of perovskite-based photovoltaic cells.

Ultraviolet-wavelength driven solar spectral converter for photovoltaic cell application

Ultraviolet-wavelength driven solar spectral converter for photovoltaic cell application

On the Scope of the Oxygen Plasma Treatment on FTO Electrodes for Electrochemical Processes

The cleaning and/or activation of electrodes for electrochemical purposes using the oxygen plasma treatment has been widely used because of its proven effectiveness to improve the properties of electrodes. Beyond its cleaning effect, the plasma can either create stepped and functionalized carbon-based materials which are active for specific electroanalytes and increase their capacitance [1]. Prussian Blue can also be activated by creating oxygen rich sites thus enhancing its electrochromism [2]. In the case of transparent conductive oxides (TCOs) electrodes such as FTO and ITO-coated glass this treatment has proven to be suitable in the preparation of spray-pyrolyzed titania thin films used as blocking hole layer or electron transporting layer in efficient third generation solar cells [3]. However, the role of this treatment on TCOs when used for electrochemical purposes has not been deeply explored yet. The reason to carry out this study lies in the great number of electrochemical processes that are usually employed for the growth of wide and middle band gap semiconductor metal oxides and chalcogenides with applications in photoelectrochemical and photovoltaic cells [4].To assess the role of the oxygen plasma, FTO was chosen as TCO reference material and the effect of different time exposure and power of plasma was analysed by electrochemical polarization in aqueous media for both anodic and cathodic directions. In the former, PbO2 electrodeposition and oxygen evolution reaction (OER) were considered. In the later, hydroxide generating reactions that usually precipitate in presence of transition metal cations were studied: i) the oxygen reduction reaction (ORR, Figure 1), ii) hydrogen peroxide reduction. Further, the reduction of S8 in DMSO media to sulphide ion was also considered as an aprotic media to growth chalcogenides. Interestingly, all these electrochemical reactions exhibited an increased activation overpotential. The behaviour of treated FTO for OER demonstrated the as implanted oxyanions do not act as source of molecular oxygen as previously claimed [5]. This was verified by the poorly response of ORR after anodic polarizations in acid media.Besides, contact angle measurements allowed to estimate the energetic of the FTO surfaces being these energies correlated with open circuit potential values. Capacitance (Mott-Schottky plots), XPS, UPS and UV-Vis spectroscopy were used to study the semiconductor energy levels of both treated and untreated FTO electrodes. The oxyanion implantation in the oxygen vacancies would be responsible of the sharply diminution of the ORR wave. However, the electrochemical response of the well-known Ferri/Ferro couple only suffered changes under highly aggressive treatments, i.e. for long times or power. Meanwhile, XRD data has shown only slight changes in the structural features of FTO. We can conclude that oxygen plasma treatment is not suitable in FTO for electrochemical purposes, contrary to other deposition methods. Surprisingly, an exception in metals deposition (Ni and Zn) was found.

Rubidium zinc trioxide perovskite materials for photovoltaic solar cell applications: A first principle calculations

Perovskite materials are the well-known of solar cell applications and have excellent characteristics to study and explain the photocatalytic research. Exchange generalized gradient approximation (GGA) and Perdew-Burke-Ernzerhof-PBE correlation functionals and density functional theory (DFT)-based Cambridge Serial Total Energy Package (CASTEP) software are used to inspect the structural, electrical, mechanical, and the optical aspects of Zinc-based cubic perovskite RbZnO3. The compound is found to be in a stable cubic phase according to our study. The predicted elastic characteristics also satisfy the mechanical criterion for stability. Pugh's criterion indicates that RbZnO3 is brittle. The examination shows that the electronic band structure, RbZnO3 possesses an indirect bandgap (BG) that has 4.23eV. Findings of BG analysis agree with currently available evidence. Total and partial density of states (DOS) are used in the confirmation of degree of a localized electrons in special band. Optical transitions in compound are evaluated by adjusting damping ratio for the appropriate peaks of the notional dielectric functions. On one hand, the material is a semiconductor at absolute zero. On the other hand, the dielectric function's fictitious element dispersion illustrates the wide range of values for energy transparency. This substance might therefore be used in a solar cell to capture ultraviolet light.

Schmidt number's impact during the growth of mc-silicon ingot through directional solidification furnace for photovoltaic applications: A computational investigation

The use of multi-crystalline silicon for photovoltaic solar cell applications is highly advantageous due to its low manufacturing costs. In this study, numerical simulations were conducted to investigate mass transport phenomena during the directional solidification of molten silicon for different Schmidt values at the critical Prandtl number of 0.01. The simulations were performed using the diffusion model and convection-conduction equations as the framework for the incompressible Navier-Stokes equation. The finite-volume method was used to carry out computations in a two-dimensional (2D) axisymmetric model. The diffusion flux of impurities (oxygen, carbon, and nitrogen) and dopants (phosphorus and boron) during the mc-silicon growth process was examined for Schmidt numbers Sc=0.5, Sc=5, and Sc=10. It was found that the Schmidt number Sc=0.5 is suitable for producing higher-grade mc-silicon ingots by regulating the production of impurities and dopants. The simulation results obtained in this study may provide a better understanding of the mc-silicon growth process and can be used to improve the production of high-quality mc-silicon ingots for photovoltaic applications.

Performance optimization of active layer doped P3HT:PCBM nanoparticles for organic photovoltaic cell applications

Performance optimization of active layer doped P3HT:PCBM nanoparticles for organic photovoltaic cell applications

Selected I-III-VI2 Semiconductors: Synthesis, Properties and Applications in Photovoltaic Cells.

I-III-VI2 group quantum dots (QDs) have attracted high attention in photoelectronic conversion applications, especially for QD-sensitized solar cells (QDSSCs). This group of QDs has become the mainstream light-harvesting material in QDSSCs due to the ability to tune their electronic properties through size, shape, and composition and the ability to assemble the nanocrystals on the surface of TiO2. Moreover, these nanocrystals can be produced relatively easily via cost-effective solution-based synthetic methods and are composed of low-toxicity elements, which favors their integration into the market. This review describes the methods developed to prepare I-III-VI2 QDs (AgInS2 and CuInS2 were excluded) and control their optoelectronic properties to favor their integration into QDSSCs. Strategies developed to broaden the optoelectronic response and decrease the surface-defect states of QDs in order to promote the fast electron injection from QDs into TiO2 and achieve highly efficient QDSSCs will be described. Results show that heterostructures obtained after the sensitization of TiO2 with I-III-VI2 QDs could outperform those of other QDSSCs. The highest power-conversion efficiency (15.2%) was obtained for quinary Cu-In-Zn-Se-S QDs, along with a short-circuit density (JSC) of 26.30 mA·cm-2, an open-circuit voltage (VOC) of 802 mV and a fill factor (FF) of 71%.