Eco-friendly Solar Cells Research Articles

Investigation of impact of kesterites as hole transport layer on (FA)2BiCuI6 based ecofriendly double perovskite solar cell to obtain optimized PCE above 25%

This paper presents a detailed study of double perovskite (FA)2BiCuI6 based perovskite solar cells(PSC) using different kesterites as hole transport layers (HTL) and titanium-based electron transport layers (ETL). The designed double perovskite PSC utilized TiO2 as an ETL, different kesterite materials (CZTSe, CFTS, CBTS, CMTS, CNTS and CZTS) as the HTL, double perovskite material (FA)2BiCuI6 as the perovskite absorption layer (PAL), Indium tin oxide (ITO) as top electrode and Au as an anode. The different parameters of architecture (ITO/TiO2/(FA)2BiCuI6/HTL/Au) is improved via the SCAPS-1D simulator by first optimizing thickness and then the defect density of PAL. Energy band matching of the different layers with (FA)2BiCuI6 is thoroughly investigated in order to understand its operation. AM 1.5G illumination is used as input light source. To obtain optimum performance of (FA)2BiCuI6 based PSC the effects of optical thickness, defect density, temperature, series resistance, and shunt resistance are monitored. Among all the kesterites, CNTS based PSC performed extraordinarily well with PCE of 26.09 %. JSC 22.64 mA/cm2, VOC 1.38 V, FF 83.33 %, and the variables influencing solar cell performance are clarified by simulations. The findings presented in this work will aid researchers in the production of ecofriendly solar cells with great efficiency.

Band gap engineering and enhanced optoelectronic performance by varying dopant concentration in RbSr[formula omitted]Sn[formula omitted]Cl[formula omitted]: Ab-inito study

In the pursuit of eco-friendly solar cells, the exploration of lead-free perovskite halides has gained momentum. This study examines tin (Sn) doping effects on RbSrCl3, a lead-free perovskite, using density functional theory (DFT). Systematically varying Sn doping (25%, 50%, 75%, 100%), the research reveals consistent mechanical stability of the doped systems. Notably, an inverse relationship emerges: increased Sn dopant reduces bandgap values, enhancing visible range absorption of the hybrid perovskite materials which is crucial for solar efficiency. Extending simulations to 14 eV, optical properties like refractive index, absorption coefficient, and conductivity are explored offering a comprehensive understanding of the materials’ optical behavior. In summary, Sn-doped hybrid perovskite materials exhibit both mechanical stability and tunable optoelectronic properties, positioning them as promising candidates for solar cell technology. The study is a significant step in advancing environmentally conscious solar cell technologies for sustainable energy applications.

Design and Simulation of an Environment-Friendly ZrS2/CuInS2 Thin Film Solar Cell Using SCAPS 1D Software

In this research, we proposed new inorganic ZrS2/CuInS2 heterojunction solar cells based on 2D dichalcogenides material using SCAPS-1D software. Transition metal dichalcogenides (TMDs) are two-dimensional materials with outstanding semiconducting properties due to their high optical absorption coefficients, nontoxic nature, significant charge carrier mobility, and tunable energy band structures. In this study, eco-friendly solar cells having the arrangement Al/ZrS2/CuInS2/Au have been quantitatively analyzed. This simulation employed the absorber layer CuInS2 and the buffer layer ZrS2 with aluminum as the front contact and gold as the back contact. The impact of the absorber layer thickness, band gap, buffer layer thickness, acceptor density, defect density, series and shunt resistances, C-V, Mott–Schottky, and the operating temperature has been studied for the proposed solar cell structure. The best performance of proposed solar cell structure thickness, band gap, and donor density for n-ZrS2 is 0.3 µm, 1.7 eV, 1 × 1019 cm−3, and for p-CuInS2, respectively, 4 µm, 1.43 eV, 2 × 1017 cm−3. The suggested solar cell has a power conversion efficiency of 21.1% with 0.81 V Voc, 30.5 mA/cm2 Jsc, and 85.78% FF. The analysis reveals that CuInS2 absorber material and ZrS2 semiconducting transition metal dichalcogenides (TMDs) are potential materials for photovoltaic applications.

Proposal and Numerical Analysis of Organic/Sb2Se3 All-Thin-Film Tandem Solar Cell.

The low bandgap antimony selenide (Sb2Se3) and wide bandgap organic solar cell (OSC) can be considered suitable bottom and top subcells for use in tandem solar cells. Some properties of these complementary candidates are their non-toxicity and cost-affordability. In this current simulation study, a two-terminal organic/Sb2Se3 thin-film tandem is proposed and designed through TCAD device simulations. To validate the device simulator platform, two solar cells were selected for tandem design, and their experimental data were chosen for calibrating the models and parameters utilized in the simulations. The initial OSC has an active blend layer, whose optical bandgap is 1.72 eV, while the initial Sb2Se3 cell has a bandgap energy of 1.23 eV. The structures of the initial standalone top and bottom cells are ITO/PEDOT:PSS/DR3TSBDT:PC71BM/PFN/Al, and FTO/CdS/Sb2Se3/Spiro-OMeTAD/Au, while the recorded efficiencies of these individual cells are about 9.45% and 7.89%, respectively. The selected OSC employs polymer-based carrier transport layers, specifically PEDOT:PSS, an inherently conductive polymer, as an HTL, and PFN, a semiconducting polymer, as an ETL. The simulation is performed on the connected initial cells for two cases. The first case is for inverted (p-i-n)/(p-i-n) cells and the second is for the conventional (n-i-p)/(n-i-p) configuration. Both tandems are investigated in terms of the most important layer materials and parameters. After designing the current matching condition, the tandem PCEs are boosted to 21.52% and 19.14% for the inverted and conventional tandem cells, respectively. All TCAD device simulations are made by employing the Atlas device simulator given an illumination of AM1.5G (100 mW/cm2). This present study can offer design principles and valuable suggestions for eco-friendly solar cells made entirely of thin films, which can achieve flexibility for prospective use in wearable electronics.

Design of an eco-friendly perovskite Au/NiO/FASnI3/ZnO0.25S0.75/FTO, device structure for solar cell applications using SCAPS-1D

Formamidinium Tin Iodide (FASnI3) based perovskite solar cells (PSC) have captured the interest of scientific community because of wide bandgap and good thermal stability, but limited power conversion efficiency (PCE) restricts their extensive adaptation. Here, we present the design of a FASnI3 active layer-based PSC with Nickel oxide (NiO) as Hole Transport Layer (HTL) & Zinc Oxy-Sulphide (ZnO0.25S0.75) as the Electron Transport Layer (ETL). The proposed Au/NiO/FASnI3/ZnO0.25S0.75/FTO, device structure is investigated using SCAPS-1D solar cell capacitance simulator. The performance parameters of proposed solar cells device structure are investigated with variations in active layer (FASnI3) thickness, defect density & doping concentration; and variations of NiO HTL & ZnO0.25S0.75 ETL thickness, electron affinity & doping concentration to obtain higher performance. Moreover, the influence of series & shunt resistance, and temperature on the performance parameters of proposed solar cell device structure is inspected. The proposed Au/NiO/FASnI3/ZnO0.25S0.75/FTO, device structure revealed excellent solar cell performance parameters such as low short-circuit current density (Jsc) of ∼28.35 mA/cm2, high Fill Factor (FF) of ∼89.64%, reasonable open-circuit voltage (Voc) of ∼1.2419 V, & admirable PCE of ∼31.57%, suitable for lead-free and eco-friendly solar cell device applications.

Systematic investigation of the impact of kesterite and zinc based charge transport layers on the device performance and optoelectronic properties of ecofriendly tin (Sn) based perovskite solar cells

Methylammonium tin triiodide (MASnI3) perovskite solar cells (PSC) have gained a lot of interest due to their edge over conventional Pb-based PSC in terms of less-toxic nature, wider optical absorption range and smaller bandgap. In this work, 24 novel n-i-p heterostructures of MASnI3 PSC have been analyzed in detail with various zinc-based electron transport layers (ETL) and kesterite-based hole transport layers (HTL). The proposed device architecture (FTO/ETL/CH3NH3SnI3/HTL/Back contact) performance was first enhanced by optimizing the thickness and then by the doping concentration of each layer via SCAPS-1D simulator under AM 1.5G illumination. The energy band alignment of the different charge transport layers (CTL) with MASnI3 was analyzed in detail to understand its working principle. Moreover, the effects of optical absorption, band offsets, electric field, defect density, interface defects, temperature, rear reflective coating, and electrodes are monitored to characterize the performance of each cell structure. Among all the proposed structures, ZnO/MASnI3/CNTS based perovskite solar cell performed outstandingly well with Jsc of 29.44 mA cm−2, Voc of 1.12 V, FF of 88.82 %, and PCE of 29.24 %. These simulations provided important insights into the mechanism of carrier transport and the factors affecting the performance of solar cells. The results in this paper will help the research community in fabricating highly efficient eco-friendly solar cells.

Device engineering of double perovskite based solar cells towards high-performance, eco-friendly solar cells

Device engineering of double perovskite based solar cells towards high-performance, eco-friendly solar cells

Thiol-Free Synthesis of Bright Near-Infrared-Emitting Ag2S Nanocrystals through Heterovalent-Metal Decoration for Ecofriendly Solar Cells

Environmentally friendly Ag2S nanocrystals (NCs) show potential applications as light-absorbing semiconductors for thin-film photovoltaics or biological taggants. However, thiol ligands are generally involved during the synthesis of Ag2S NCs to maintain colloidal stability, hindering postexchange of these crystal-bound thiolate ligands. Here, using common non-thiol ligands (oleic acid and oleylamine), we develop a general strategy of surface heterovalent-metal (Bi3+, Ga3+, In3+, Sb3+, and Zn2+) decoration to synthesize colloidal cation-rich Ag2S NCs achieving a high photoluminescence quantum yield up to 22% at ∼1230 nm. Density functional theory calculations reveal the heterovalent-metal cations exhibit stronger orbital coupling to the ligands than Ag atoms, and thus stronger binding affinity, resulting in reduced dynamic surface ligands to produce compact cation-rich Ag2S NCs with high solubility in nonpolar solvents. We further show that surface-decorated Bi atoms can accumulate the electron charge density, leading to surface-related band-edge emissions with increased electron–hole separation and prolonged exciton lifetimes of the Bi-decorated Ag2S NCs, which are desirable for many optoelectronic conversion applications. Using a 40 nm-thick light-absorbing layer of Bi-decorated Ag2S NCs, the optimized solar cells show a short-circuit current density of 18.6 mA cm–2 and a power conversion efficiency of over 4%.

Eco-friendly and ultrathin solar cells featuring nanocrystals: advances and perspectives

A comprehensive and critical review of the emerging eco-friendly solar cells such as AgBiS2 is presented with the goal of further advancing the photovoltaic performance and stability.

Microenvironment Created by SnSe2 Vapor and Pre-Selenization to Stabilize the Surface and Back Contact in Kesterite Solar Cells.

The ambient air-processed preparation of kesterite Cu2 ZnSn(S,Se)4 (CZTSSe) thin film is highly promising for the fabrication of low-cost and eco-friendly solar cells. However, the Sn volatilization loss and formation of a thick Mo(S,Se)2 interfacial layer during the traditional selenization process pose challenges for fabricating high-efficiency CZTSSe solar cells. Here, CZTS precursors prepared by a sol-gel process in ambient air are selenized and assisted with SnSe2 vapor via one- and two-step selenization to prepare a CZTSSe absorber on a Mo film and, subsequently, solar cells. For one-step selenization, the thickness of the fine grain and Mo(S,Se)2 layers near the back contact can be significantly reduced with increasing SnSe2 vapor partial pressure in the mixed selenization atmosphere, while the device efficiency is only 7.97% due to the severe interface recombination. For two-step selenization, the desired morphology and stoichiometry of the absorber can be achieved through the assistance of Sn-poor precursors selenized with high SnSe2 vapor partial pressure to regulate the Sn content in CZTSSe, yielding the highest efficiency of 10.85%. This study improves the understanding of the key role of the microenvironment during film growth towards the production of high-efficiency thin film solar cells and other photoelectronic devices.

Modelling and simulation of eco-friendly solar cells sensitized by natural dyes

One of the biggest environmental challenges for scientists and researchers is to minimize energy crisis by utilizing renewable energy without impacting the climate. Natural dyes based organic solar cells are third generation dye sensitized solar cells (DSSC) which are bio safe, low cost, and relatively easy to fabricate with flexibility than Silicon based solar cells. In this study dye sensitized solar cells are modelled and simulated using diffusion model. The simulations are carried out in MATLAB software to investigate the electrical characteristics. The simulations are performed for three different DSSCs made of pomegranate, beetroot and N-719 dyes. Physical parameters are extracted and their impact on the performance of solar cells is studied. Additionally, the effects of variations in electrode thickness and irradiance are also investigated. The results indicated that short-circuit current, open-circuit voltage and output power increased by decreasing the electrode thickness. Simulated results are in good agreement with the experimental results of preassembled DSSCs. A set of parameters based on electrical considerations is delivered which will not only help to study the impact of physical parameter of DSSC but will also help to control and improve the performance and efficiency of Dye sensitized solar cells.

Structural Characterization and Dynamics of a Layered 2D Perovskite [NH3(CH2)5NH3]MnCl4 Crystal near Phase Transition Temperature

[NH3(CH2)5NH3]MnCl4 crystals are grown via slow evaporation, and the crystal undergoes a phase transition at 298 K (TC) according to differential scanning calorimetry, and the structures determined via X-ray diffraction at 173 and 333 K are orthorhombic systems in the space group Imma. These results differed slightly from those previously reported, and the reasons for this are analyzed. The thermal stability is relatively high, with a thermal decomposition temperature of approximately 570 K. The 1H spin-lattice relaxation times t1ρ exhibited very large variations, as indicated by the large thermal displacement around the 1H atoms, suggesting energy transfer at ~TC, even if no structural changes occurred. The influences of the chemical shifts of 1H of NH3 and short t1ρ of C1 adjacent to NH3 in cation are insignificant, indicating a minor change in the N−H⋯Cl hydrogen bond related to the coordination geometry of the MnCl6 octahedron. These properties will be make it a potential application for eco-friendly solar cells.

Numerical investigation of a novel solar cell based on a modified perovskite with PPP polymer

In this paper, a new, highly efficient and eco-friendly solar cell device based on a modified perovskite material from CsMAFA, with a polymer as an absorber layer, is modelled and simulated by utilizing the SCAPS-1D. An encouraging conversion power efficiency of 23.5% is achieved by optimizing several core parameters in the absorber layer and the device structure. The obtained results show remarkable progress in the solar cell performance by increasing the absorber layer's thickness. Indeed, increasing the thickness to 1000 nm is desirable to promote the light absorption process and solar cell efficiency. High doping density in the absorber layer adversely impacted solar cell performance. Additionally, increasing the defect density above 1×1016 cm−3 yielded a sharp degradation in device performance. This is ascribed to a reduction in the lifetime and the diffusion length of the charge carriers and turned out toward the electron-hole recombination process. Adjusting the electron affinity of the absorber layer at 4.49 eV presented a valued step toward optimizing the device performance through having better band alignment between the layers. The simulations results demonstrated that the device performance starts to be impeded if a metal with a work function less than 5 eV is used as a back contact layer. Finally, the solar cell displayed a continuous degraded behavior with increasing the temperature. The device operates optimally at 300 K. It is believed that this study represents an added value in the field of simulation and fabrication high-efficiency perovskite solar cells and optoelectronic devices.

Characterization on Lead-Free Hybrid Perovskite [NH3(CH2)5NH3]CuCl4: Thermodynamic Properties and Molecular Dynamics.

It is essential to develop novel zero- and two-dimensional hybrid perovskites to facilitate the development of eco-friendly solar cells. In this study, we investigated the structure and dynamics of [NH3(CH2)5NH3]CuCl4 via various characterization techniques. Nuclear magnetic resonance (NMR) results indicated that the crystallographic environments of 1H in NH3 and 13C on C3, located close to NH3 at both ends of the cation, were changed, indicating a large structural change of CuCl6 connected to N–H···Cl. The thermal properties and structural dynamics of the [NH3(CH2)nNH3] cation in [NH3(CH2)nNH3]CuCl4 (n = 2, 3, 4, and 5) crystals were compared using thermogravimetric analysis (TGA) and NMR results for the methylene chain. The 1H and 13C spin-lattice relaxation times (T1ρ) exhibited similar trends upon the variation of the methylene chain length, with n = 2 exhibiting shorter T1ρ values than n = 3, 4, and 5. The difference in T1ρ values was related to the length of the cation, and the shorter chain length (n = 2) exhibited a shorter T1ρ owing to the one closest to the paramagnetic Cu2+ ions.

Theoretical investigations of electronic structure and optical properties of S, Se or Te doped perovskite ATiO3 (A=Ca, Ba, and Sr) materials for eco-friendly solar cells

Structural, electronic, and optical properties of undoped and chalcogens doped ATiO3 (A ​= ​Ca, Ba, and Sr) materials are studied using Density Functional Theory and Local Density Approximation with modified Becke and Johnson to explore the effect of S, Se or Te doped ATiO3 perovskites. Our results show that after the substitution of S, Se, or Te elements in oxygen sites, the bandgap widths are decreased with increasing the doped concentrations up to 7.5%, conserving the p-type semiconductor behavior because the number of the core orbital in the pure structures are the same in the doped structures (after the substation of oxygen atoms O (2s22p6) by chalcogens’ orbitals S (3s3p6), Se (4s24p6) and Te (5s25p6)). Therefore, the absorption coefficient and the optical conductivity of the doped systems are boosted in the photovoltaic range, especially for BaTiO3 doped with 2.5% and 5% of Te making BaTiO3Te more favorable for the photovoltaic devices compared to CaTiO3Te and SrTiO3Te compounds.

Emission Spectroscopy Investigation of the Enhancement of Carrier Collection Efficiency in AgBiS2-Nanocrystal/ZnO-Nanowire Heterojunction Solar Cells.

Eco-friendly solar cells were fabricated using interdigitated layers comprising ZnO nanowires (NWs) and infrared absorbing AgBiS2 nanocrystals (ITO/ZnO NWs/AgBiS2/P3HT/Au). The quality of ZnO NWs was studied using photoluminescence and Raman spectroscopy to identify the defects in ZnO NWs influencing solar cell performance. Oxygen vacancies and Zn interstitial sites, among various recombination sites, were observed to be the main sites for carrier recombination, which hinders the carrier collection in the solar cells. Accordingly, the power conversion efficiency of AgBiS2 solar cells exhibited a good correlation with the number of oxygen vacancies. The structural order and electron-phonon interaction in ZnO NWs were also investigated via Raman scattering spectroscopy. A lower concentration of oxygen vacancies and zinc interstitials (Zni) resulted in a higher structural order as well as a weaker electron-phonon interaction in ZnO NWs. When ZnO NWs were treated at 500 °C in oxygen with the lowest oxygen vacancy concentration, the solar cells (500-O2 solar cell (SC)) demonstrated an external quantum efficiency of approximately 70% in the visible region and a corresponding internal quantum efficiency of more than 80%. The 500-O2 SC exhibited a power conversion efficiency of 5.41% (JSC = 22.21 mA/cm2, VOC = 0.41 V, and FF = 60%) under quasi one-sun illumination. New methods that can efficiently reduce oxygen vacancies and Zni without affecting the structural order of ZnO NWs would further enhance the carrier collection efficiency. Moreover, since ZnO is a key electron transport material for constructing not only colloidal quantum dot solar cells but also other emerging solar cells, such as organic thin-film solar cells, the present findings provide significant information for improving their performance.

AgBiS2 as a photoabsorber for eco-friendly solar cells: a review

Commercialization of photovoltaic devices can be limited by presence of heavy metals. The use of less toxic quantum dot materials is an attractive strategy to address this issue. Here, we review AgBiS2 as an absorber for eco-friendly solar cells.

Eco-Friendly AgBiS2 Nanocrystal/ZnO Nanowire Heterojunction Solar Cells with Enhanced Carrier Collection Efficiency.

AgBiS2 nanocrystals (NCs) are nontoxic, lead-free, and near-infrared absorbing materials. Eco-friendly solar cells were constructed using interdigitated layers of ZnO nanowires (NWs) and AgBiS2 NCs, with the aim of elongating the otherwise short carrier diffusion length of the AgBiS2 NC assembly. AgBiS2 NCs were uniformly infiltrated into the ZnO NW layers using a low-cost and easily scalable dip coating method. The resulting ZnO NW/AgBiS2 NC interdigitated structures provided efficient carrier pathways in constructed nanowire solar cells (NWSCs), composed of a transparent electrode/ZnO NW/AgBiS2 NC interdigitated layer/P3HT hole transport layer/Au. The photocurrent external quantum efficiency (EQE) in the visible to near-infrared regions was enhanced compared to those of the control solar cells made with ZnO/AgBiS2 tandem layered structures. The maximum EQE for the NWSCs reached 82% in the visible region, which is higher than the EQE values previously reported for solar cells fabricated with ZnO/AgBiS2 NCs. Air stability tests on unsealed NWSCs demonstrated that 90% or more of the initial power conversion efficiency was maintained even after 6 months.

The new eco-friendly lead-free zirconate perovskites doped with chalcogens for solar cells: Ab initio calculations

The effects of Sulfur, Selenium or Tellurium-doped AZrO3 (A = Ca, Ba and Sr) on electronic and optical properties have been investigated using ab initio calculations. We can confirm that the forbidden band decreases with the increase of chalcogens’ concentration, especially for Te and Se doped AZrO3. Moreover, the absorption and the optical conductivity in the visible spectrum were stimulated essentially for Te doped AZrO3. Hence, Te would be the better substitute of O in Lead-Free Zirconate perovskites for a new class of promising eco-friendly solar cells.

Improved Performance of Natural Dye for Eco-friendly Solar Cell Application using SnO2 Nanoparticles by Chemical Precipitation Method

Natural dye-sensitized solar cells (NDSSCs) have gained important interest in the field of solar energy owing to their low production cost, simple fabrication and good efficiency. In the present study, SnO 2 nanoparticles were prepared by chemical precipitation method. The photoanode is fabricated using doctor-blade technique. In this paper, the dye molecules absorb light and make excited electrons the technique adopted, which in revolve create current in the output terminals of the cell. Graphite coated glass was used as the counter electrode. The prepared nanoparticles are characterized by powder X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDX), and UV-Visible spectroscopy. XRD analysis confirms the structure of tetragonal structure with rutile phase, and crystallite sizes 20-30 nm. Curcuma longa dye extract used as photosensitizer. FTIR results show the M-O (Sn-O) bond with no other distinct impurities from the chemical reactions that were used for SnO 2 preparation. Finally, photocurrent-voltaic characterization of nano-crystaline natural dye solar cell using I-V studies. It was found that the levels of short-circuit current (Jsc), open-circuit voltage (Voc), fill factor (FF) and overall conversion efficiency (η) of Curcuma longa dye extract. Further suggestions to improve the efficiency of NDSSC are discussed.