Solar Cells Research Articles

Effects of fluorination of benzothiadiazole units on the properties of alternating cyclopentadithiophene/benzothiadiazole donor/acceptor polymers

AbstractA set of narrow bandgap conjugated polymers was prepared, using cyclopentadithiophene (CDT) donor units coupled with benzothiadiazole (BT) acceptor units substituted with either no fluorine atoms (A1), one fluorine atom (A2) or two fluorine atoms (A3), using the Stille cross coupling reaction. The addition of two electron‐withdrawing fluorine atoms to the BT units was observed to deepen the HOMO energy level of the resulting copolymer, while only slightly affecting the LUMO level, as evidenced by cyclic voltammetry examination. The alternating copolymers (CDT‐A1, CDT‐A2 and CDT‐A3) possess small optical bandgaps of 1.37, 1.43 and 1.51 eV (which should efficiently harvest a broad part of the solar spectrum), and a moderate HOMO level of −5.00, −5.05 and −5.12 eV, respectively. CDT‐A3 displayed the highest optical/electrochemical‐bandgap and the deepest HOMO level, a consequence of the addition of the fluorine atoms on the BT moieties. Inclusion of two fluorine atoms resulted in sharper X‐ray diffraction peaks in the CDT‐A3 copolymer with respect to its analogues CDT‐A1 and CDT‐A2 copolymer indicating a greater crystallinity. These findings clearly demonstrate that fluorination of BT units is an effective approach for adjusting the energy levels and optical properties of BT‐based materials for use in organic solar cells devices as well as for other applications.

High-Performance CuInS2 Quantum Dot Sensitized Solar Cells Through I-/MPA Dual-Ligands Passivation.

High-efficiency quantum dot sensitized solar cells (QDSSCs) can be received by increasing quantum dot (QD) loading and mitigating QD surface trap states. Herein, the surface state of CuInS2 QDs is optimized through an I-/MPA dual-ligands passivation strategy. The steric hindrance and electrostatic repulsion between QDs can be effectively reduced, thereby enabling an increased QD loading capacity. Meanwhile, the I-/MPA dual-ligands passivation strategy can further lower the surface trap density, leading to substantially enhanced charge transfer efficiency of the solar cells. Interestingly, various iodized salts, including TBAI, MAI, and KI, are proved to possess comparable property, underscoring the versatility and broad applicability of this I-/MPA dual-ligands passivation strategy. Eventually, CuInS2 QDSSCs based on the NH4I/MPA dual-ligands exhibit a noteworthy enhancement in photovoltaic conversion efficiency, surpassing the benchmark of 5.71 % to reach 7.03 %.

Theoretical study of star shaped benzotriindole based variant non-fullerene acceptors for efficient organic solar cells

Theoretical study of star shaped benzotriindole based variant non-fullerene acceptors for efficient organic solar cells

Recent advances in stabilizing the organic solar cells

Recent advances in stabilizing the organic solar cells

Charge Carrier Collection Losses in Lead‐Halide Perovskite Solar Cells

AbstractThe collection of photogenerated charges in halide perovskite solar cells depends on the thickness of the absorber layer, with larger thicknesses leading to a reduced collection efficiency. This observation has traditionally been associated with insufficiently high electron and hole diffusion lengths in the absorber layers. However, it is shown that in the presence of low‐mobility contact layers, charge collection can be thickness‐dependent, even if the absorber layer has infinite mobility. Here, analytical equations are derived for the thickness dependence of charge collection losses in situations where recombination is bulk or interface‐limited and show how to relate these equations to voltage‐dependent photoluminescence data. The analytical equations are compared to experimental data and numerical simulations and it is observed that experimental data on triple‐cation perovskite devices with different thicknesses approximately follows the case, where bulk recombination dominates.

Molybdenum-Oxide-Modified PEDOT:PSS as Efficient Hole Transport Layer in Perovskite Solar Cells

Over the last ten years, there has been a remarkable enhancement in the power conversion efficiency (PCE) of perovskite solar cells (PSCs), with poly (3,4-ethylenedioxythiohene):poly (styrenesulfonate) (PEDOT:PSS) emerging as a prevalent choice for the hole transport layer (HTL). Nevertheless, the evolution of the widely utilized PEDOT:PSS HTL has not kept pace with the swift advancements in PSC technology, attributed to its suboptimal electrical conductivity, acidic nature, and inadequate electron-blocking performance. This study presents a novel approach to enhance the HTL by introducing molybdenum oxide (MoO3) into the PEDOT:PSS, leveraging the conductivity and solution processing compatibility of MoO3. Two methods for MoO3 integration were explored: an ammonium molybdate tetrahydrate (AMT) precursor and the direct addition of MoO3 nanoparticles. The carrier dynamics of PSCs modified by MoO3 are significantly optimized. Therefore, the PCE of the device modified by AMT and molybdenum oxide is increased to 18.23 and 19.64%, respectively, and the stability of the device is also improved. This study emphasizes the potential of MoO3 in contributing to the development of more efficient and stable PSCs.

Enhancing the Photovoltaic Efficiency of In0.2Ga0.8N/GaN Quantum Well Intermediate Band Solar Cells Using Combined Electric and Magnetic Fields

This study presents a theoretical investigation into the photovoltaic efficiency of InGaN/GaN quantum well-based intermediate band solar cells (IBSCs) under the simultaneous influence of electric and magnetic fields. The finite element method is employed to numerically solve the one-dimensional Schrödinger equation within the framework of the effective-mass approximation. Our findings reveal that electric and magnetic fields significantly influence the energy levels of electrons and holes, optical transition energies, open-circuit voltages, short-circuit currents, and overall photovoltaic conversion performances of IBSCs. Furthermore, this research indicates that applying a magnetic field positively influences conversion efficiency. Through the optimization of IBSC parameters, an efficiency of approximately 50% is achievable, surpassing the conventional Shockley–Queisser limit. This theoretical study demonstrates the potential for next-generation photovoltaic technology advancements.

As‐Doped Polycrystalline CdSeTe: Localized Defects, Carrier Mobility and Lifetimes, and Impact on High‐Efficiency Solar Cells

AbstractThe efficiency potential for single‐junction photovoltaics (PV) is described by the detailed balance model, which requires the elimination of nonradiative recombination and perfect minority carrier collection. Improvements in GaAs, Si, and perovskite PV follow this model. It might be more complex for CdTe, a leading thin‐film PV technology. While lifetime, passivation, and doping goals for 25% efficient CdTe solar cells are largely reached, voltage is ≈20% below the detailed balance limit. Why is that? In Se‐alloyed CdSexTe1‐x (Se is required for >20% efficiency) additional losses can occur due to electrostatic and bandgap fluctuations and due to electronic trap states. To understand mechanisms limiting CdSeTe solar cell performance and to suggest improvements, carrier dynamics, and transport in CdSexTe1‐x with variation in Se composition and as doping is analyzed. It is shown that trapping, likely due to anion‐site defects and their complexes, is correlated with low charge carrier mobility of 0.1–0.6 cm2 (Vs)−1. Even with 1000 ns charge carrier lifetimes, carrier diffusion length is less than the absorber thickness, reducing efficiency to ≈23%. Device simulations are used to analyze the performance of CdSexTe1‐x solar cells; thermodynamic models are not sufficient for absorbers with electronic disorder and trapping.

Pyrene‐Based Self‐Assembled Monolayer with Improved Surface Coverage and Energy Level Alignment for Perovskite Solar Cells

AbstractRecently, the efficiency of p‐i‐n perovskite solar cells drastically increased, a pivotal factor being the incorporation of self‐assembled monolayers (SAMs) as a hole‐transporting layer (HTL). SAMs offer many advantages over conventional HTLs, including minimal material requirements, low cost, and facile processing. Current research is mainly focused on the development of carbazole‐derived SAMs. However, the versatility of organic chemistry allows for the design of SAMs with alternative organic cores that may possess specific benefits. In this study, three novel SAMs are incorporated in p‐i‐n perovskite solar cells, each based on an aromatic core commonly used in organic semiconductors. The novel SAMs vary in their energy level alignment with the perovskite active layer. Optimal alignment is achieved with a pyrene‐based SAM (4PAPyr), resulting in solar cells that outperform the commercially available 2PACz. Moreover, due to improved surface coverage, the use of 4PAPyr leads to a significantly higher number of working solar cell devices when compared to 2PACz, which is of particular interest with regard to upscaling. After device optimization, a power conversion efficiency of 22.2% is achieved with 4PAPyr. This research underlines the importance of diversifying SAMs to unlock further advancements in perovskite solar cell efficiency and scalability.

Optimizing Wide Band Gap Cu(In,Ga)Se2 Solar Cell Performance: Investigating the Impact of “Cliff” and “Spike” Heterostructures

In recent years, the efficiency of high-efficiency Cu(In,Ga)Se2 (CIGS) solar cells has been significantly improved, particularly for narrow-gap types. One of the key reasons for the enhancement of narrow-gap device performance is the formation of the “Spike” structure at the CdS/CIGS heterojunction interface. Wide-gap CIGS solar cells excel in modular production but lag behind in efficiency compared to narrow-gap cells. Some studies suggest that the “Cliff” structure at the heterojunction of wide-gap CIGS solar cells may be one of the factors contributing to this decreased efficiency. This paper utilizes the SCAPS software, grounded in the theories of semiconductor physics and photovoltaic effects, to conduct an in-depth analysis of the impact of “Cliff” and “Spike” heterojunction structures on the performance of wide band gap CIGS solar cells through numerical simulation methods. The aim is to verify whether the “Spike” structure is also advantageous for enhancing wide-gap CIGS device performance. The simulation results show that the “Spike” structure is beneficial for reducing interfacial recombination, thereby enhancing the VOC of wide-gap cells. However, an electronic transport barrier may form at the heterojunction interface, resulting in a decrease in JSC and FF, which subsequently reduces device efficiency. The optimal heterojunction structure should exhibit a reduced “Cliff” degree, which can facilitate the reduction of interfacial recombination while simultaneously preventing the formation of an electronic barrier, ultimately enhancing both VOC and device performance.

Influence of Plasmonic Au@Cl/N Co‐doped Carbon Dots on the Performance of Dye‐Sensitized Solar Cells

ABSTRACTThe synergistic influence of the LSPR (localized surface plasmon resonance) of gold nanoparticles (Au NPs) and the effect of nitrogen and chlorine co‐doped carbon dots (Cl/N‐CQDs) on dye‐sensitized solar cells (DSSCs) performance are investigated. The gold NPs are coated with a thin layer of Cl/N‐CQDs to produce the Au@Cl/N‐CQDs structure. DSSCs are fabricated by using Au@Cl/N‐CQDs as co‐sensitizer. The focus of this work is to examine the effects of plasmonic Au NPs and carbon dots in addition to their synergistic effect by capping the Au NPs with Cl/N‐CQDs, and track their influence in DSSCs. N719 as ruthenium‐based dye, and natural dyes including betanin, crocin, carthamin, curcumin, chlorophyll, mallow, and lawsone are selected and applied in the DSSCs co‐sensitized by Au@Cl/N‐CQDs. The power conversion efficiency (PCE) of DSSCs using all of the selected dyes is enhanced upon using the Au@Cl/N‐CQDs. It is due to the improvement in VOC (open circuit voltage) and JSC (short circuit photocurrent densities) relative to the use of dyes alone. Based on computational results, Au@Cl/N‐CQDs cause a red‐shift in comparison with pure dyes. The TD‐DFT (time‐dependent density functional theory) results show that the orbitals from the Au@Cl/N‐CQDs in dye/Au@Cl/N‐CQDs have contribution in most of the absorptions. In other words, electrons from HOMO (highest occupied molecular orbital) of Au@Cl/N‐CQDs is transferred to the LUMO (lowest unoccupied molecular orbital) of dye, in most cases.

Simple Smoothing of the Bottom Silicon Surface Using Wet Chemical Etching Methods for Epitaxial III‐V/Silicon Tandem Manufacturing

The implementation of diverse technologies has recently facilitated the production of cost‐effective and highly efficient solar cells. High‐efficiency solar cells with III‐V compounds tandem crystalline silicon cells have achieved photovoltaic efficiency of higher than 39%. Etching silicon wafers plays a vital role in the deposition of epitaxial layers, neutralizing dangling bonds, and surface passivation for tandem solar cells. The wafers are polished using a solution of HF–HNO3–CH3COOH (HNA) and 20% KOH to smoothen the wafer surface. When HNA wet etching is performed for 3.5 min and the 20% KOH etching lasts for 6 min, the microroughness of the wafer is 1.9 nm with a measurement area of 10 × 10 μm2 and 0.816 nm within an area of 1 × 1 μm2. Compared with the as‐cut wafer, the reflectance increases from 31.7% to 34.7%, and the effective minority carrier lifetime, with 30 nm Al2O3 passivation after 450 °C activated, increases from 1.4 to 1.8 ms in a carrier density of 1.0 × 1015 cm−3.

Optimization of coupling phase-change materials and thermal screens in façade-integrated hybrid photovoltaic collectors for optimal energy production and thermal comfort in buildings

The operation of building-integrated photovoltaic (BIPV) systems gives rise to a significant proportion of the solar radiation absorbed by the cells being unable to be converted into electricity. This phenomenon consequently increases the temperature. This temperature increase impacts the cells' electrical efficiency, leading to a reduction in their performance and accelerating their degradation. The combination of phase-change materials with insulating fluid blades, situated behind photovoltaic cells, represents a passive cooling solution that optimizes the performance of hybrid photovoltaic systems when incorporated into facades. The present study assesses a system that incorporates paraffin as a PCM and an argon layer in a PV-PCM-argon layer physical model (PVT/ArPCM), in comparison with a PV-PCM system (PVT/PCM), to enhance the thermoelectric performance of photovoltaic systems mounted on façades while ensuring optimal thermal comfort within buildings. The discrete heat transfer equations were solved using the Thomas algorithm and the iterative Gauss-Seidel method in conjunction with the implicit finite difference method. The findings illustrate that the electrical efficiency experienced only a slight increase, estimated at 0.01%, while there was a notable enhancement in the indoor thermal comfort experienced by occupants, with a 65% improvement observed due to the incorporation of an argon-filled thermal screen. The incorporation of an argon layer led to a minor reduction in temperature of 0.01°C in the photovoltaic cells, resulting in a minimal improvement of 0.014% in electrical power production. The phase-changing material incorporated into PVT/ArPCM demonstrated superior thermal management capabilities in comparison to the same material employed in PVT/PCM.

Sustainable Solution Processing Toward High‐Efficiency Organic Solar Cells: A Comprehensive Review of Materials, Strategies, and Applications

AbstractOrganic solar cells (OSCs) have emerged as promising candidates for renewable energy harvesting due to their lightweight, flexible, and low‐cost fabrication potential. The efficiency of OSCs is largely determined by the choice of solvents, which significantly affect the film morphology of the active layers, the intermixed donor‐acceptor domains, and overall device performance. Beginning with an introduction to the importance of solvent selection, the screening and classification of solvents, emphasizing their characteristics and classification based on sustainability, solubility, and other additional considerations are explored. Various non‐halogenated solvents, highlighting commonly used aromatic solvents, biomass‐derived solvents, and water/alcohol‐based solvents are explored. The state‐of‐the‐art donor and acceptor materials, focusing on efficient donor materials such as PM6 and D18, and high‐performing Y‐series acceptors are also presented. Strategies for developing high‐performance OSCs processed using non‐halogenated solvents are examined, including solvent engineering with additive and additive‐free approaches, ternary strategies, and layer‐by‐layer techniques. The fabrication of large‐area devices using non‐halogenated solvents is addressed, focusing on blade‐coating, slot‐coating, and other processing techniques. Finally, this review outlines future research directions in the non‐halogenated solvent processing of OSCs, emphasizing the need for continuous innovation to overcome existing limitations and propel OSC technology toward commercial viability.

A Review of Simulation Tools for Thin-Film Solar Cells

Unlike current silicon-based photovoltaic technology, the development of last-generation thin-film solar cells has been marked by groundbreaking advancements in new materials and novel structures to increase performance and lower costs. However, physically building each new proposal to evaluate the device’s efficiency can involve unnecessary effort and time. Numerical simulation tools provide a solution by allowing researchers to predict and optimize solar cell performance without physical testing. This paper reviews thirteen of the main numerical simulation tools for thin-film solar cells, including SCAPS, AMPS, AFORS-HET, ASPIN3, GPVDM, SESAME, SILVACO, SENTAURUS, and ADEPT. This review evaluates each tool’s features, modeling methods, numerical approaches, and application contexts. The findings reveal notable differences in material modeling, numerical accuracy, cost, and accessibility among the tools. Each tool’s strengths and limitations in simulating thin-film solar cells are highlighted. This study emphasizes the necessity of selecting suitable simulation tools based on specific research requirements. It provides a comparative analysis to assist researchers in choosing the most effective software for optimizing thin-film solar cells, contributing to advancements in photovoltaic technology.

Structural, electronic and optical properties of CdTiX2 (X = N and P): A first principles density functional theory investigation

In the present paper, we have proposed new ternary materials CdTiN2 and CdTiP2 with body centered tetragonal structure. We have studied the structural, electronic, and optical properties of the proposed compounds with the help of the first principles density functional theory. The calculated electronic band structure shows that these compounds show indirect band gap of 1.089 eV and 0.359 eV for the compounds CdTiN2 and CdTiP2 respectively and hence it is concluded that these compounds are semiconducting nature. The optical properties such as the reflectivity, absorption, refractive index, real and imaginary part of dielectric function, optical conductivity, electronic energy loss function shows that studied compounds CdTiN2 and CdTiP2 may be promising materials for optoelectronic devices and the photoelectric solar cells.

Non‐Electron Withdrawing Unit Copolymerization to Enhance Photo‐Stability of Thiophene‐Based Organic Solar Cells

The impact of non‐electron withdrawing unit copolymerization on photostability of fullerene‐based organic solar cells is investigated using two donor polymers namely: benzodithiophene‐4,8‐dione (BDD) unit copolymerized with α‐quaterthiophene (4 T) unit (PBDD4T) and poly‐3‐hexyl‐thiophene (P3HT). The optical and electrochemical properties of the polymers reveal a deeper highest occupied molecular orbital (HOMO) and broader absorption in PBDD4T in comparison to P3HT owing to the BDD copolymerization. The copolymer achieves a higher power conversion efficiency (PCE) compared to the P3HT‐based device due to its higher VOC and Jsc that resulted from its deeper HOMO level and broader absorption. The photostability study reveals that PBDD4T‐based devices lost 14% of its initial PCE relative to the 48% reduction in PCE for P3HT‐based devices after 7 h of irradiation. Further investigation into the reasons behind the difference in the photostability suggests that photooxidation and recombination induced by irradiation in PBDD4T‐based devcie are suppressed by BDD‐copolymerization, maintaining better stability. In contrast, P3HT:PC71BM‐based solar absorber shows bimolecular recombination due to photoaging processes, which have negatively impacted the device stability. The reduction in stability of both devices is evident by lower photogenerated current attributed to reduced charge mobility and increased surface roughness.

Revealing the Excited-State Dynamics in a Dye-Sensitized Solar Cell Based on Natural Chlorophylls

Revealing the Excited-State Dynamics in a Dye-Sensitized Solar Cell Based on Natural Chlorophylls

Air-Processed Efficient Perovskite Solar Cells With Full Lifecycle Management.

Despite the outstanding power conversion efficiency of perovskite solar cells (PSCs) realized over the years, the entire lifecycle from preparation and operation to discarding of PSCs still needs to be carefully considered when it faces the upcoming large-scale production and deployment. In this study, bio-derived chitin-based polymers are employed to realize the full lifecycle regulation of air-processed PSCs by forming multiple coordinated and hydrogen bonds to stabilize the lead iodide and organic salt precursor inks, accelerating the solid-liquid reaction and crystallization of two-step deposition process, then achieving the high crystalline and oriented perovskites with less notorious charge defects in the open air. The air-prepared PSCs exhibit a decent efficiency of 25.18% with high preparation reproducibility and improved operational stability toward the harsh environment and mechanical stress stimuli. The modified PSCs display negligible fatigue behavior with keeping 92% of its initial efficiency after operating for 32 diurnal cycles (ISOS-LC-1 protocol). Meanwhile, closed-loop lead management of end-of-life PSCs including suppression of lead leakage, toxicity evaluation of broken devices, and recycling of lead iodide components are comprehensively investigated. This work sheds light on a promising avenue to realize the entire lifecycle regulation of air-processed efficient and stable PSCs.

Bimolecular Passivation-Dipole Bridge for Highly Efficient Inverted Perovskite Solar Cells with Low Nonradiative Recombination Loss.

Constructing charge-selective heterointerface with minimized defect state and matched energy level alignment is essential to reduce nonradiative recombination for achieving high-performance perovskite solar cells (PSCs). Herein, a bimolecular passivation-dipole bridge comprised of sodium phenylmethanesulfonate (SPM) and 2-phenylethylammonium iodide (PEAI) is carefully developed to regulate perovskite heterointerface. SPM passivates defect states and upshifts Fermi level (EF) of perovskite surface, and subsequent PEAI further induces additional negative dipole and causes the surface EF of perovskite pinning to negative polaron transport state of electron transport layer PCBM, which significantly promotes electron extraction at the perovskite electron-selective contact. These advantages are confirmed by a remarkably improved efficiency from 21.74% for control to 25.12% for treated PSC with excellent stability. Moreover, corresponding nonradiative recombination loss impressively diminishes from 123 to 70 meV, and charge transport-induced fill factor loss is only 3.00%. This work provides a promising approach via passivation-energetic synergy for engineering perovskite heterointerface toward highly efficient and stable PSCs.