Layer In Solar Cells Research Articles

A Pyrrole Modified 3,4-Propylenedioxythiophene Conjugated Polymer as Hole Transport Layer for Efficient and Stable Perovskite Solar Cells.

Despite the outstanding electric properties and cost-effectiveness of poly(3,4-ethylenedioxythiophene) (PEDOT) and its derivatives, their performance as hole transport layer (HTL) materials in conventional perovskite solar cells (PSCs) has lagged behind that of widely used spirobifluorene-based molecules or poly(triaryl amine). This gap is mainly from their poor solubility and energy alignment mismatch. In this work, the design and synthesis of a pyrrole-modified HTL (PPr) based on 3,4-propylenedioxythiophene (ProDOT) are presented for efficient and stable PSCs. As a result of the superior defects passivation ability, excellent contact with perovskite, enhanced hole extraction, and high hydrophobicity, the unencapsulated PPr-based PSCs showed the peak PCE of 21.49% and outstanding moisture stability (over 4000 h). This work highlights the potential application of ProDOT-based materials as HTL for PSCs and underscores the importance of the rational design of PEDOT and its derivatives.

Configurational Isomerization‐Induced Orientation Switching: Non‐Fused Ring Dipodal Phosphonic Acids as Hole‐Extraction Layers for Efficient Organic Solar Cells

AbstractPhosphonic acid (PA) self‐assembled molecules have recently emerged as efficient hole‐extraction layers (HELs) for organic solar cells (OSCs). However, the structural effects of PAs on their self‐assembly behaviors on indium tin oxide (ITO) and thus photovoltaic performance remain obscure. Herein, we present a novel class of PAs, namely “non‐fused ring dipodal phosphonic acids” (NFR‐DPAs), featuring simple and malleable non‐fused ring backbones and dipodal phosphonic acid anchoring groups. The efficacy of configurational isomerism in modulating the photoelectronic properties and switching molecular orientation of PAs atop electrodes results in distinct substrate surface energy and electronic characteristics. The NFR‐DPA with linear (C2h symmetry) and brominated backbone exhibits favorable face‐on orientation and enhanced work function modification capability compared to its angular (C2v symmetry) and non‐brominated counterparts. This makes it versatile HELs in mitigating interfacial resistance for energy barrier‐free hole collection, and affording optimal active layer morphology, which results in an impressive efficiency of 19.11 % with a low voltage loss of 0.52 V for binary OSC devices and an excellent efficiency of 19.66 % for ternary OSC devices. This study presents a new dimension to design PA‐based HELs for high‐performance OSCs.

Configurational Isomerization-Induced Orientation Switching: Non-Fused Ring Dipodal Phosphonic Acids as Hole-Extraction Layers for Efficient Organic Solar Cells.

Phosphonic acid (PA) self-assembled molecules have recently emerged as efficient hole-extraction layers (HELs) for organic solar cells (OSCs). However, the structural effects of PAs on their self-assembly behaviors on indium tin oxide (ITO) and thus photovoltaic performance remain obscure. Herein, we present a novel class of PAs, namely "non-fused ring dipodal phosphonic acids" (NFR-DPAs), featuring simple and malleable non-fused ring backbones and dipodal phosphonic acid anchoring groups. The efficacy of configurational isomerism in modulating the photoelectronic properties and switching molecular orientation of PAs atop electrodes results in distinct substrate surface energy and electronic characteristics. The NFR-DPA with linear (C2h symmetry) and brominated backbone exhibits favorable face-on orientation and enhanced work function modification capability compared to its angular (C2v symmetry) and non-brominated counterparts. This makes it versatile HELs in mitigating interfacial resistance for energy barrier-free hole collection, and affording optimal active layer morphology, which results in an impressive efficiency of 19.11 % with a low voltage loss of 0.52 V for binary OSC devices and an excellent efficiency of 19.66 % for ternary OSC devices. This study presents a new dimension to design PA-based HELs for high-performance OSCs.

Enhanced optoelectronic characteristics of La-doped ZnO and its compatibility with Cs-doped MAPbI3 perovskite absorber material

Abstract The present study investigates the structural, electrical and optical characteristics of pristine and lanthanum (La)-doped zinc oxide electron transport layers (ETLs) fabricated by the sol gel method and their compatibility with Cs0.10MA0.90Pb(I0.9Br0.10)3 absorber layer for perovskite solar cells. All the ETLs were deposited under same deposition conditions, with the only difference in La percentage in the precursor solutions, ranging from 0 to 6%. X-ray diffraction (XRD) analysis demonstrated the presence of crystalline ZnO thin films and the absence of any impurity phases after La-doping. The calculated crystallite size, determined using Scherrer’s equation, increased from 11.13 to 21.76 nm after the introduction of dopant. The doping with 4% La led to the decrease in the optical bandgap from 3.32 eV of pristine ZnO to 3.23 eV. SEM analysis revealed better morphology of perovskite/4% La:ZnO specimen, which facilitated the absorbance and reduced the charge carrier recombination. It also exhibited superior resilience towards moisture and humidity which will eventually contribute to the development of more stable and efficient planar perovskite solar cells (PCSs).

Synthesis of Multifunctional Organic Molecules via Michael Addition Reaction to Manage Perovskite Crystallization and Defect.

Additive engineering plays a pivotal role in achieving high-quality light-absorbing layers for high-performance and stable perovskite solar cells (PSCs). Various functional groups within the additives exert distinct regulatory effects on the perovskite layer. However, few additive molecules can synergistically fulfill the dual functions of regulating crystallization and passivating defects. Here, we custom-synthesized 2-ureido-4-pyrimidone (UPy) organic small molecules with diverse functional groups as additives to modulate crystallization and defects in perovskite films via the Michael addition reaction. Theoretical and experimental investigations demonstrate that the -OH groups in UPy exhibit significant effects in fixing uncoordinated Pb2+ ions, passivation of lead-iodide antisite defects, alleviating hysteresis, and reducing non-radiative recombination. Furthermore, the enhanced C=O and -NH2 motifs interact with the A-site cation via hydrogen bonding, which relieves residual strain and adjusts crystal orientation. This strategy effectively controls perovskite crystallization and passivates defects, ultimately enhancing the quality of perovskite films. Consequently, the open-circuit voltage of the UPy-based p-i-n PSCs reaches 1.20 V, and the fill factor surpasses 84 %. The champion device delivers a power conversion efficiency of 25.75 %. Remarkably, the unencapsulated device maintained 96.9 % and 94.5 % of its initial efficiency following 3,360 hours of dark storage and 1,866 hours of 1-sun illumination, respectively.

Comprehensive evaluation of mechanical properties, optoelectronic features, photovoltaic performance, and crystal stability of Ba3MX3 (M = As, Sb; X = Cl, Br, I)

Herein, the first-principles computations are utilized to study the optoelectronic properties, photovoltaic performance, crystal stability, and mechanical features of Ba3MX3 (M = As, Sb; X = Cl, Br, I). Through comprehensive structural stability evaluation, all compounds are determined to be stable. The results indicate that Ba3MX3 (M = As, Sb; X = Cl, Br) is brittle while both Ba3AsI3 and Ba3SbI3 are ductile. The HSE06-based electronic structure calculations show that the direct-gap nature is revealed for six compounds, and the energy band gaps are within the range of 1.35–1.65 eV. The fundamental band gap can be modulated by virtue of X-anion substitution. The low carrier effective masses are disclosed for these compounds. Their optical features exhibit that high solar absorption and weak reflectance and energy loss are observed. Ultimately, an ultra-high theoretical conversion efficiency of 31.9 % is implemented for Ba3MI3 (M = As, Sb). Besides, the remaining four compounds also have high conversion efficiencies within 29–30 %. From the suitability for practical applications, both Ba3AsI3 and Ba3SbI3 are chosen as the best candidates for the absorber layers of effective single-junction solar cells. Our findings unveil the suitability of these inorganic materials for optoelectronic applications.

The Effect of Seeding Method on The Growth of Zinc Oxide Nanorods

The paper presents the investigation of the method of seeding process for the growth of zinc oxide (ZnO) nanorods (NRs) on the glass substrate as an electron transport layer (ETL) for solar cells. The ZnO NRs were grown by using the hydrothermal method. The seeding process was done via average deposition of zinc crystallite on the glass surface, and the process was compared between with and without spin coating technique. The effect of spin coating parameters during seeding phase on the growth of ZnO nanorods was also investigated in this study. It was found that the sample prepared using the unfiltered solution without spin coating in the seeding phase exhibited the densest ZnO NRs layer with the highest absorption coefficient and high crystallinity.

Surface treatment processed electron transport layers for efficient Sb2S3 solar cells

Solution-processed Sb2S3 thin films and solar cell devices have recently gained popularity due to their easy procedure and outstanding final device performance. Nevertheless, although the substrate has a significant influence on thefollowing functional films, the effect of the substrate in the Sb-based solar cells appears to have not been adequately examined. In this study, we performed an interesting thioacetamide (TA)-assisted surface treatment strategy on the electron transport layer (ETL) to achieve high-quality development of Sb2S3 thin films and based solar devices. The surface treatment of ETLs resulted in a uniform surface, Zn(OH)2 impurity reduction, and excellent wettability. The above enhanced the growth of Sb2S3 thin films with features like extremely large crystal sizes (∼8 um), more homogeneous and dense film morphology, preferred crystal orientation, reduced oxygen content, and fewer defects, which benefits carrier transport. Finally, a device structure constructed of FTO/TiO2/Zn(O,S)/Sb2S3/Spiro/Au was created, resulting in an almost 30 % increase in efficiency, from 4.05 % to 5.21 %. The proposed approach not only gives new insights into generating higher-quality Sb2S3 thin films and devices, but it also presents new concepts and methods for future high-quality sulfide thin film preparation.

Bifunctional Nitrogen-Rich Heterocyclic Compounds: Synthesis, Photoluminescence and Energetic Properties.

Nitrogen-rich heterocyclic frameworks have attracted enormous interest in organic chemistry and materials science. However, their potential for developing photoluminescent materials remains underexplored due to their relatively low molecular stabilities. In this work, two tricyclic fused nitrogen-rich fluorescent heterocycles were synthesized and characterized. The photophysical properties of the synthesized 4 and 5 were investigated through theoretical and experimental studies. In addition, their physicochemical and energetic properties and the performance as an additive to the perovskite absorption layer of the perovskite solar cell were also studied.

Ionized Phenanthroline Derivatives Suppressing Interface Chemical Interactions with Active Layer for High-efficiency Organic Solar Cells with Exceptional Device Stability.

The contact interface between the charge transport interlayer and the active layer is crucial for the non-fullerene organic solar cells (NF OSCs) to achieve high efficiency and long-term stability. In this study, two novel phenanthroline (Phen) derivatives, tbp-Phen and tbp-PhenBr, are developed as efficient cathode interfacial materials (CIMs). The larger steric hindrance substituents and the ionization of nitrogen atoms on the Phen framework jointly enable the tbp-PhenBr CIM with a stable film morphology and immensely suppress the detrimental interface chemical interactions with the NF active layer. Consequently, tbp-PhenBr-based OSC achieves a higher efficiency (PCE=16.34%) than bathocuproine (BCP)-based control device (PCE=13.70%) using PM6:Y6 as the active layer. More importantly, the tbp-PhenBr-based device maintains 80% of its initial efficiency (T80) for 3264 h in dark conditions and 220 h after being heated at 85°C, significantly outperforming the BCP-based device. The tbp-PhenBr CIM also shows broad applicability across various binary and ternary active layer systems, affording a notable PCE of 19.49%. Additionally, the tbp-PhenBr CIM can be processed via a thermal evaporation technique and the prepared devices exhibit high reproducibility. This work provides innovative insights into the molecular design of the CIMs for stable and efficient NF OSCs.

Conformal SnO2 and NiOx charge transport layers for pragmatic air-processed perovskite solar cells

The industrialization of perovskite (PVK) solar cells (PSCs) necessitates simple manufacturing, cheapness, nontoxicity, high efficiency, and stability. We report an air-processed lead halide PSCs with cheap, nontoxic, stable NiOx and SnO2 as the hole and electron transport layers separately, to meet all the above commercial requests. By preparing the NiOx (water-dispersible) and SnO2 (oil-dispersible) quantum dots (QDs) with good conductivity and energy band matched well with that of PVK, we fabricate inverted PSCs (ITO/NiOx/PVK/SnO2/Ag) with efficiency up to 20.1/14.6% for active areas of 0.0707/1 cm2, under 1 sun simulated illumination with enhanced UV light ratio. The UV-light resistant PSCs reported here will impel their application in the high altitude areas with strong UV light. Importantly, the monodisperse size and dominant (110) plane of SnO2 QDs achieved by controlling the solvothermal parameters, realize the conformal deposition and defect prevention of SnO2, respectively, thus improving the PSC efficiency and stability.

Exploring energy harvesting potential of lithium-based halide perovskites Li2CuSbZ6 (Z=Cl, Br): First principles approach

Recent research has focused on investigating the physical characteristics of the halide perovskite combinations, Li2CuSbZ6 (Z = Cl, Br) within the context of Density Functional Theory (DFT). The optimized FCC cubic structure lattice parameters for Li2CuSbCl6 and Li2CuSbBr6 are 10.57 and 11.10 Å, respectively. We have examined the stability by evaluating the tolerance factor, formation energy, and the Born Criteria. The analysis conducted on the elastic constants identifies the ductility, anisotropy, melting, and Debye temperatures. First-principles calculations reveal that computed electronic features using the TB-mBJ approximation unveiled an indirect band gap of 1.33 and 1.04 eV, respectively. Optical analyses indicate that the studied halide perovskites exhibits significant absorption in the visible and ultraviolet regions. Boltzmann's classical theory explains the transport features and attained higher figure of merit (ZT) values for both perovskites. These research findings provide a significant potential for these materials in the absorber layer of perovskite-based solar cells as well as thermoelectric devices.

11.88% Efficient Flexible Ag-Free CZTSSe Solar Cell: Spontaneously Tailoring the Alkali Metal Level.

Alkali metal is the requirement for highly efficient Cu2ZnSn(S, Se)4 (CZTSSe) solar cells, thus it is crucial to additionally incorporate alkali metal into the absorber layer for flexible solar cells. However, the efficiency of flexible CZTSSe devices reported to date, based on the conventional alkali incorporation strategies, still lags behind those made on rigid substrates. One of the main issues is the inability to control the alkali content and distribution in the absorber layer. Here, a facile alkaline incorporation approach is proposed, effectively regulating the content and distribution of alkali metals in the film. Such a method can spontaneously tailor the alkali metal content to a proper level, thus leading to the suppression of non-radiative recombination and a better carrier transport through the enhanced film quality and the optimized band binding structure. Finally, a champion flexible CZTSSe solar cell with an efficiency of 11.88% is achieved, the highest reported efficiency for a CZTSSe solar cell without noble Ag doping. This study affords an innovative spontaneous alkali-doping design for the preparation of high-performance flexible CZTSSe solar cells and provides a deeper insight into the extent of alkali metal doping.

Reaction Dynamics between Formamidinium Lead Iodide and Copper Oxide.

Copper oxide (CuOx) has been announced as a very promising hole-transporting layer for perovskite solar cells. However, in our previous work, we have shown that once a formamidinium lead triiodide (FAPI) perovskite is spin-coated on a spray-coated cuprous oxide (Cu2O) substrate, the Cu2O diffuses into and reacts with the FAPI film. In order to verify if the degradation products are related to the oxidation state of CuOx and/or its preparation method, in this work, we first prepared CuOx films by thermal oxidation at temperatures ranging from 120 to 300 °C. While increasing the process temperature, a transformation from copper I (Cu2O) to copper II (CuO) oxidation states was observed. For both oxidation states of copper, FAPI perovskite degradation was found; however, some alterations in the reaction products were noticed. In contrast to our expectations, the introduction of an ultrathin plasma-enhanced atomic layer deposited Al2O3 layer in between both films only partially blocked the CuOx migration into the FAPI film. It can be concluded that regardless of the chemical composition and/or preparation method of CuOx, the overlayered FAPI film gets decomposed. In order to use CuOx as a hole-transporting layer in solar cells, new strategies must be developed to limit these unwanted chemical reactions.

Sputter-deposited TiOx thin film as a buried interface modification layer for efficient and stable perovskite solar cells

Despite perovskite solar cells (PSCs) based on a SnO2 hole-blocking layer (HBL) are achieving excellent performance, the non-perfect buried interface between the SnO2 HBL and the perovskite layer is still an obstacle in achieving further improvement in power conversion efficiency (PCE) and stability. The poor morphology with numerous defects and the energy level mismatch at the buried interface constrain the open circuit voltage and cause instability. Herein, a sputter-deposited TiOx thin film is used as a buried interface modification layer to address the aforementioned issues. Utilizing in situ grazing-incidence small-angle X-ray scattering (GISAXS) during the sputter deposition, we monitor and unveil the growth process of the TiOx thin film, identifying a 10 nm thickness optimum. The defects at the buried interface are passivated through tuning the growth, leading to a suppressed non-radiative recombination and improved PCE (from 22.19 % to 23.93 %). The evolution of the device performance and the degradation process of PSCs using operando grazing-incidence wide-angle X-ray scattering (GIWAXS) under the protocol ISOS-L-1I explains the enhanced stability introduced by the buried interface modification via a sputter-deposited TiOx thin layer. The perovskite decomposition process and the detrimental formation of PbI2 are both slowed down by the TiOx thin layer.

Synthesis and scalable process for fabrication of Perovskite Solar Cells using organic and inorganic hole transport materials

The Organic Inorganic Lead Iodide perovskite material has emerged as a pioneer in being an active material for third-generation solar cells. Apart from the synthesis, the scalable mechanism which is being used for the deposition process, greatly influences the performance of the cell owing to its impact on the morphology, uniform thickness, and interface between two functional layers. This study briefly discusses the various deposition processes involved in assembling the layers of perovskite solar cells (PSC). Hole transport materials (HTM) are a crucial part of the PSC providing efficient transport of the charge carriers. However, the effect of organic and inorganic HTMs is highly pronounced in the PSCs. This study also discusses the effect of organic and inorganic HTM on the stability and efficiency of the sandwich-structured PSC.

Cooling of highly concentrated photovoltaic cells with confined jet impingement by introducing channel configurations

Appropriate cooling techniques are required to be integrated into highly concentrated photovoltaic cells to maintain the surface of the photovoltaic cell at a uniform temperature. This study focuses on cooling photovoltaic cells with confined jet impingement to reduce non-uniform temperature distribution and thermal and bending stresses to avoid hotspots and current mismatching problems, thereby improving the cell electrical efficiency. Channels are formed in an aluminium heat sink on the backside of solar cell layers such that the coolant strikes the heat sink surface at the centre and exits at the four corners of the module. Different designs of confined jet channel configurations are studied. The effect of the coolant mass flow rate on the hydrothermal performance of the concentrated photovoltaic thermal (CPV-T) system is examined for all channel configurations. The electrothermal performance of the CPV-T system is at its maximum with a quadrant mini-channel with a single inlet. The net electrical power generated by the PV cell is at its maximum of 30.5 W for a mass flow rate of 50 g/min with this channel configuration. Further, the pressure loss is minimal at 163 Pa at 25 g/min, and the temperature uniformity is also maximum, with a temperature difference over the cell surface of 6.3 °C at 50 g/min. The present study will be useful in the thermal management of highly concentrated photovoltaic thermal systems and high-temperature applications.

Regulation of the Buried Interface to Achieve Efficient HTL-Free All-Inorganic CsPbI2Br-Based Perovskite Solar Cells.

The large voltage loss (Vloss) mainly stems from the mismatch between the perovskite film and electron transport layer in CsPbI2Br-based all-inorganic perovskite solar cells (I-PSCs), which restricts the power conversion efficiency (PCE) of devices. To address this issue, potassium benzoate (BAP) is first introduced as a bifunctional passivation material to regulate the TiO2/CsPbI2Br interface, reduce the Vloss, and improve the photovoltaic performance of CsPbI2Br-based I-PSCs. Eventually, the champion PCE of CsPbI2Br-based I-PSCs without a hole transport layer modified by BAP (Target-PSCs) improves to 14.90% from the 12.14% of reference PSCs. The open-circuit voltage (Voc) increases to 1.27 V from the initial 1.14 V after BAP modification. A series of characterizations show that BAP modification can not only optimize the energy level alignment of I-PSCs but also passivize the surface defects caused by uncoordinated Cs+/Pb2+. Moreover, the Target-PSCs without encapsulation demonstrate better thermal stability, which can maintain 107.6% of the original PCE after annealing at 160 °C for 140 min in humid air. While the reference PSCs only maintain 76.5% of their initial PCE after annealing at the same process. This work provides a simple strategy to modify the buried interface and improve the performance of CsPbI2Br-based I-PSCs.

Electron transporting bilayers for perovskite solar cells: Spray coating deposition of c-TiO2/m-SnO2-quantum dots

Herein we present a comparative study among different spray-coated nanometric mesoporous electron transporting layers (ETLs) in perovskite solar cells (PSC), namely m-TiO2, m-SnO2 and m-SnO2 quantum dots (m-SnO2QDs). The solutions used for deposition were prepared from commercial pastes and colloidal suspensions for m-TiO2 and m-SnO2. For m-SnO2QDs in-house QDs solutions were prepared. The formamidinium-methylamonium-potassium (FAMA@10 K) has been used as light absorber material in the fabricated PSCs. The structural, compositional and morphological studies, correlated with the photovoltaic performance of PSCs, indicate that the m-SnO2 QDs layer is the best candidate among the three investigated mesoporous ETLs. Compared with the suspensions used for the other two ETLs, the in-house prepared SnO2 QDs solution presents smaller agglomerates of nanoparticles and results in the formation of a thinner, more uniform and compact mesoporous ETL. The FAMA@10 K perovskite deposited on m-SnO2 QDs ETL presents a lower roughness, better uniformity and a higher amount of PbI2. Our work unveils that the SnO2 QDs solution can be easily produced in laboratory and when is deposited as mesoporous scaffold in a PSC with FAMA@10 K perovskite, the power conversion efficiency increases up to 14.90 %, being with up to 27 % larger than in the PSCs with m-TiO2 and m-SnO2 ETLs prepared from commercial solutions. By modeling the J-V dynamic hysteresis with more than 90 % match between the calculated and experimental J-V data, for all three types of mesoporous ETLs, the relevant parameters that explain the hysteresis magnitude and account for ionic-induced recombination processes in PSCs were determined.

Mesoporous structured MoS2 as an electron transport layer for efficient and stable perovskite solar cells.

Mesoporous structured electron transport layers (ETLs) in perovskite solar cells (PSCs) have an increased surface contact with the perovskite layer, enabling effective charge separation and extraction, and high-efficiency devices. However, the most widely used ETL material in PSCs, TiO2, requires a sintering temperature of more than 500 °C and undergoes photocatalytic reaction under incident illumination that limits operational stability. Recent efforts have focused on finding alternative ETL materials, such as SnO2. Here we propose mesoporous MoS2 as an efficient and stable ETL material. The MoS2 interlayer increases the surface contact area with the adjacent perovskite layer, improving charge transfer dynamics between the two layers. In addition, the matching between the MoS2 and the perovskite lattices facilitates preferential growth of perovskite crystals with low residual strain, compared with TiO2. Using mesoporous structured MoS2 as ETL, we obtain PSCs with 25.7% (0.08 cm2, certified 25.4%) and 22.4% (1.00 cm2) efficiencies. Under continuous illumination, our cell remains stable for more than 2,000 h, demonstrating improved photostability with respect to TiO2.