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Efficient and stable tin-based perovskite solar cells by introducing π-conjugated Lewis base
摘要： Tin-based perovskite solar cells (TPSCs) as the most promising candidate for lead-free PSCs have incurred extensive researches all over the world. However, the crystallization process of tin-based perovskite is too fast during the solution-deposited process, resulting in abundant pinholes and poor homogeneity that cause serious charge recombination in perovskite layer. Here, we employed the π-conjugated Lewis base molecules with high electron density to systematically control the crystallization rate of FASnI3 perovskite by forming stable intermediate phase with the Sn-I frameworks, leading to a compact and uniform perovskite film with large increase in the carrier lifetime. Meanwhile, the introduction of the π-conjugated systems also retards the permeation of moisture into perovskite crystal, which significantly suppresses the film degradation in air. These benefits contributed to a stabilizing power conversion efficiency (PCE) of 10.1% for the TPSCs and maintained over 90% of its initial PCE after 1000-h light soaking in air. Also, a steady-state efficiency of 9.2% was certified at the accredited test center.
关键词： FASnI3 perovskite,π-conjugated Lewis base,perovskite solar cells,power conversion efficiency,crystallization rate
更新于2025-09-12 10:27:22
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Efficient polymer solar cells that use conjugated polyelectrolyte with a tetravalent amine-end side chain
摘要： Conjugated polyelectrolyte based on benzotriazole (BT) with tetravalent amine-end side chain and benzothiadiazole (BTz) conjugated alternating repeat units, named PBTBTz-TMAI was initially designed and synthesized. Fullerene- and non-fullerene-based polymer solar cells were fabricated using PBTBTz-TMAI as the cathode interlayer. Consequently, power conversion efficiencies of 8.4% and 10.5% were achieved for the fullerene PTB7:PC71BM-based and non-fullerene PBDB-T:ITIC-based single-junction devices, respectively. The enhanced performance is attributed to the appropriate energy level alignment of the active layer with PBTBTz-TMAI and the efficient electron transfer from the active layer to the cathode electrode.
关键词： cathode interlayer,non-fullerene,tetravalent amine-end,conjugated polyelectrolyte,polymer solar cells
更新于2025-09-12 10:27:22
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Unraveling Correlations between Molecular Properties and Device Parameters of Organic Solar Cells Using Machine Learning
摘要： Understanding the relationships between molecular properties and device parameters is highly desired not only to improve the overall performance of an organic solar cell but also to fulfill the requirements of a device for a particular application such as solar to fuel energy conversion (high VOC) and solar-window applications (high JSC). In this work, a series of machine learning models are built for three important device characteristics (VOC, JSC, and FF) using 13 crucial molecular properties as descriptors, with an impressive predictive performance (r=0.7). These models may play a vital role in designing promising organic materials for a specific photovoltaic application with high VOC/JSC. The importance of descriptors for each device parameter is unraveled, which may assist in tuning them and improve understanding of the energy conversion process.
关键词： virtual screening,organic photovoltaics,machine learning,conjugated molecules,Organic solar cells
更新于2025-09-12 10:27:22
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New π-Conjugated Materials Based on Thienopyrazine As Organic Dye Sensitizers for Organic Photovoltaic Device Applications
摘要： In this work, new organic donor-π -acceptor molecules based on thienopyrazine is designed and reported. Diverse side based electron groups were presented to evaluate their impacts on the electronic and photovoltaic properties. The calculations of ground state were done by employing the DFT-B3LYP/6-31G(d,p) and the TD-DFT method for the excitation properties of the produced molecules. The results indicated that the “HOMO” and “LUMO” level are slightly changed and this suggests that there are different structures, playing important roles in improving the electronic and photovoltaic properties and in improving the electron accepting ability. The attained values of band gap together with the open circuit voltage are parameters that can be manipulated to improve the quality of solar cell applications. Moreover, the results showed that these molecules can be used for a solar cell as organic sensitizers due to probability of the electron injection process from the molecules to the conduction band of PC60BM, PC70BM or TiO2, in addition to the help of the compounds in designing more effective functional photovoltaic organic materials.
关键词： LHE,DFT,Open circuit voltage,Thienopyrazine,π -conjugated
更新于2025-09-12 10:27:22
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An algorithm for designing a cooling system for photovoltaic panels
摘要： Solar energy is an abundant source of energy for generating electricity. One of the main challenges in using solar energy is that solar photovoltaic (PV) panels are typically used in regions where solar radiation is high; consequently, the temperature of the panels will increase, and the efficiency of the panels will decrease. Adding cooling tubes to the PV panel is a possible approach to cool it down. To design such cooling systems, CFD simulations may be used; however, this approach tends to be time-consuming. In this paper, we report a new algorithm for designing straight cooling tubes. The algorithm can be used to determine important design parameters such as tube center-to-center length, diameter of the tube, and the minimum tube length needed to achieve a desired outlet temperature. The accuracy of the algorithm was tested using real-world data (including various ambient temperatures and solar radiations) and the maximum temperature difference between desired outlet temperature and CFD simulation for the designed cooling system was found to be 1.7oK.
关键词： Solar energy,Conjugated heat transfer,Design algorithm,Renewable energy,PVT,Cooling system
更新于2025-09-12 10:27:22
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Synthesis and photovoltaic investigation of 8,10-bis (2-octyldodecyl) -8,10-dihydro-9H-bisthieno [2 ', 3': 7.8; 3``, 2 '': 5.6] naphtho [2,3-d] imidazol-9-one based conjugated polymers using non-fullerene acceptor
摘要： Two donor -acceptor (D-A) conjugated polymers designed on same 8,10-bis (2-octyldodecyl)-8,10-dihydro-9H-bisthieno [2`,3`:7,8; 3”,2”:5,6]naphtho [2,3-d]imidazole-9-one donor and dissimilar acceptor units, i.e. benzothiadiazole BT (P104) and fluorinated benzothiadiazole (P105) were synthesized and investigated their photophysical and electrochemical properties. The influence of the incorporation of fluorine atoms into the benzothiadiazole (BT) acceptor moiety in the polymer backbone on the photovoltaic performance when combined with the low bandgap non-fullerene acceptor ITIC-F was explored. The polymer solar cells based on P105:ITIC-F exhibited higher PCE (10.65 %) as compared to P104 :ITIC-F (8.32 %), resulted from the improved values of all the photovoltaic parameters. High value of Voc is linked with the deeper highest occupied molecular orbital energy level of P105 and the larger values of both short circuit current and fill factor are endorsed to the efficient exciton separation into charge carriers and their subsequent transfer owing to the increased value of dielectric constant and reduced value of exciton dissociation and energy loss and promoted balanced charge transportation. The intra/interchain interaction can be modulated by F atom substitution in the BT unit, resulting reduction in π-π stacking distance and increase in the crystal coherence length, benefiting the charge transportation in the active layer. These results offer a simple effective approach to regulate the optical and electrochemical properties and therefore increase the overall photovoltaic response.
关键词： D-A conjugated copolymer,non-fullerene acceptor,Polymer solar cells,morphology
更新于2025-09-12 10:27:22
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Efficient near IR porphyrins containing a triphenylamine-substituted anthryl donating group for dye sensitized solar cells
摘要： Three porphyrin dyes comprising 4-(10-ethynylanthracen-9-yl)-N,N-diphenylaniline as an extended p-conjugated donor integrated with systematically varied acceptor groups, i.e., 2-cyano-3-(5-methylthiophen-2-yl)acrylic acid (LG19), 2-cyano-3-(5-(7-methylbenzo[c][1,2,5] thiadiazol-4-yl) thiophen-2-yl)acrylic acid (LG20), and 2-cyano-3-(4-(7-methyl benzo[c][1,2,5] thiadiazol-4-yl) phenyl)acrylic acid (LG21), have been synthesized and implemented in dye sensitized solar cells (DSSCs). All these sensitizers were characterized by various spectroscopic and electrochemical techniques. The absorption maxima of LG20 significantly red-shifted to 707 nm, when compared to those of the LG19 and LG21 sensitizers. Optical, electrochemical and theoretical studies suggest that the lowest unoccupied molecular orbitals (LUMOs) of LG20 and LG21 are very close to the TiO2 conduction band, when compared to that of LG19. The IPCE values of LG20 and LG21 were found to be 81% at 486 nm and 83% at 482 nm, respectively, and the onset wavelengths were shifted up to 900–980 nm. With favourable red shifted absorption of the LG20 sensitizer, a high power conversion efficiency (PCE) of 10.0% has been observed for the fabricated DSSC, which was higher than those of the DSSCs fabricated from LG19 (PCE = 8.51%) and LG21 (PCE = 9.04%). Therefore, the effect of the extended p-conjugated donor, anchoring group, benzothiadiazole auxiliary acceptor and presence of dodecyloxy groups significantly contributed to enhancing the efficiency of the device using a liquid redox electrolyte. Finally, we have used intensity modulated photovoltage spectroscopy and nanosecond transient studies to explain the design and efficiency relationship of these sensitizers.
关键词： benzothiadiazole,dye sensitized solar cells,extended p-conjugated donor,power conversion efficiency,porphyrin dyes
更新于2025-09-12 10:27:22
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Non-conjugated polymers as thickness-insensitive electron transport materials in high-performance inverted organic solar cells
摘要： Two non-conjugated polymers PEIE-DBO and PEIE-DCO, prepared by quaternization of polyethyleneimine ethoxylate by 1,8-dibromooctane and 1,8-dichlorooctane respectively, are developed as electron transport layer (ETL) in high-performance inverted organic solar cells (OSCs), and the effects of halide ions on polymeric photoelectric performance are fully investigated. PEIE-DBO possesses higher electron mobility (3.68×10?4 cm2 V?1 s?1), higher conductivity and more efficient exciton dissociation and electron extraction, attributed to its lower work function (3.94 eV) than that of PEIE-DCO, which results in better photovoltaic performance in OSCs. The inverted OSCs with PTB7-Th: PC71BM as photoactive layer and PEIE-DBO as ETL exhibit higher PCE of 10.52%, 9.45% and 9.09% at the thickness of 9, 35 and 50 nm, respectively. To our knowledge, PEIE-DBO possesses the best thickness-insensitive performance in polymeric ETLs of inverted fullerene-based OSCs. Furthermore, PEIE-DBO was used to fabricate the inverted non-fullerene OSCs (PM6:Y6) and obtained a high PCE of 15.74%, which indicates that PEIE-DBO is effective both in fullerene-based OSCs and fullerene-free OSCs.
关键词： Electron transport materials,Organic solar cells,Thickness-insensitive,Non-conjugated polymer
更新于2025-09-12 10:27:22
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Direct Observation of Chain Lengths and Conformations in Oligofluorene Distributions from Controlled Polymerization by Double Electron–Electron Resonance
摘要： Synthetic polymers are mixtures of chains with different lengths, and their chain length and chain conformation is often experimentally characterized by ensemble averages. We demonstrate that Double-Electron-Electron-Resonance (DEER) spectroscopy can reveal the chain length distribution, and chain conformation and flexibility of the individual n-mers in oligo-(9,9-dioctylfluorene) from controlled Suzuki-Miyaura Coupling Polymerization (cSMCP). The required spin-labeled chain ends were introduced efficiently via a TEMPO-substituted initiator and chain terminating agent, respectively, with an in situ catalyst system. Individual precise chain length oligomers as reference materials were obtained by a stepwise approach. Chain length distribution, chain conformation and flexibility can also be accessed within poly(fluorene) nanoparticles.
关键词： controlled polymerization,polymer particles,wormlike chain model,conjugated polymers,Electron paramagnetic resonance,double-Electron-Electron resonance (DEER),distance determination
更新于2025-09-12 10:27:22
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Synthesis of molecular‐weight‐controlled polyfluorene with boronate at one end
摘要： We investigated the synthesis of poly?uorene with a pinacol boronate (PinB) moiety at one end and with controlled molecular weight by means of Suzuki–Miyaura coupling polymerization of 7-bromo-9,9-dioctyl-9H-?uoren-2-yl boronate (1) with a palladium(0) precatalyst in the presence of pinacol 4-tri?uoromethylphenylboronate (2) as a chain terminator and CsF/18-crown-6 as a base. When we used AmPhos Pd G2, which has a propensity for intramolecular catalyst transfer on a π-electron face, poly?uorene with the PinB moiety at one end and PhCF3 (derived from 2) at the other end was obtained, and the molecular weight increased in proportion to the feed ratio of [1]0/[catalyst]0, though the molecular weight distribution was broad. Since the molecular weight also linearly increased with respect to the conversion of 1 until the middle stage of polymerization, the polymerization appears to involve chain-growth polymerization through intramolecular catalyst transfer from the Pd catalyst inserted into the C Br bond of 1. The broad molecular weight distribution might be mainly due to slow initiation and slow termination with 2, rather than polymer–polymer coupling.
关键词： polymer end,conjugated polymer,Suzuki polycondensation,palladium catalyst,poly?uorene,catalyst-transfer condensation polymerization
更新于2025-09-11 14:15:04