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Rational design of SM315-based porphyrin sensitizers for highly efficient dye-sensitized solar cells: A theoretical study
摘要： To explore high-efficiency dye-sensitized solar cells (DSSCs), five D-π-A type porphyrin dyes derived from SM315 synthesized by Gr?tzel et al with electron-rich units D1-D5 as donors were investigated using density functional theory (DFT) and time-dependent density functional theory (TD-DFT). The enhanced light harvesting abilities of all designed dyes are reflected by widened light harvesting efficiency curves, extended absorption spectra to near-infrared region and ~84 nm red-shifted maximum absorption wavelengths as well as double increased oscillator strengths. Mainly contributed by the remarkable increment of predicted short-circuit current density, the predicted overall efficiency of the design dyes increases by ~27% compared to SM315. Especially, S101 could be the most promising candidate with the highest predicted overall efficiency of 16.7% among all of dyes. The dynamic simulations of interfacial electron transfer of all the investigated dyes expound that the excited electrons inject almost totally into semiconductor TiO2 within 200 fs. This work would provide guidance for exploring potential sensitizers in highly efficient DSSCs.
关键词： porphyrin sensitizer,interfacial electron transfer,power-conversion efficiency,dye-sensitized solar cell
更新于2025-09-12 10:27:22
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An electron donating controlling strategy for design several dithieno[3,2-b:2′,3′-d]pyrrole based dyes with D–D–A structure in dye-sensitized solar cells
摘要： One of the important strategies for designing pure organic dyes is to improve the electron donating abilities of dye donors hence increase the intramolecular potential energy difference. In order to quantify the electron-donating capacity of organic units, we firstly propose a parameter donation ability (DA) value for evaluating the electron DA of organic units via theoretical calculation, by using of several fragments such as coplanar dithiophenyl pyrrole, triphenylamine (TPA), phenothiazine (PTZ) and cyanoacetic acid (CA) which is the research objects here. Inspired by the DA values of the above organic fragments, dye PSD-9, PSA-10 and PST-11 were designed and synthesized. Cyclic voltammetric (CV) measurements show that the DA values of dye PSA-10 and PST-11’s donor increases when TPA and PTZ groups are introduced into PSD-9, hence HOMO level increases and the band-gap narrow down. This change is reflected in the absorption spectra: the maximum absorption wavelength of PSA-10 and PST-11 is 63 and 84 nm red-shifted compared with PSD-9. Similarly, the molar extinction coefficients of PSA-10 and PST-11 are increased by 34.7 × 103 and 14.7 × 103 M?1 cm?1, respectively. Combining a mesoporous titania film grafted by these dithiophenyl pyrrole dye with iodine electrolyte, an 4.2% and 4.8% power conversion effciency (PCE) is achieved for PSA-10 and PST-11 at an irradiance of the AM1.5G sunlight, with an significant increasing compared to PSD-9 with an PCE of 1.6%. The typical photocurrent density–voltage (J–V) test shows that the short circuit current of dye PSA-10 and PST-11 is much higher than that of PSD-9, which is the main reason for the improvement of PCE. The red-shift and stronger IPCE curve is the most advantageous evidence of the change of short circuit current. Furthermore, electrochemical impedance measurements is studied for exploring the changes of open-circuit voltage of PSA-10 and PST-11, the results infer that larger donor units and long alkyl chains can effectively increasing current density on photoanode, hence increase the open circuit voltage of the devices.
关键词： electron donating ability,dithieno[3,2-b:2′,3′-d]pyrrole,dye-sensitized solar cells,organic dyes,power conversion efficiency
更新于2025-09-12 10:27:22
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Underwater performance of thin-film photovoltaic module immersed in shallow and deep waters along with possible applications
摘要： This article presents the experimental results of the underwater performance of amorphous silicon (a-Si) thin-film photovoltaic (TFPV) module. Electrical performance characteristics (current, voltage, power input, power output, and power conversion efficiency) of a-Si TFPV are evaluated considering the two installation conditions of Submerged Photovoltaics (SPV): shallow and deep waters. Experimental results showed that the a-Si TFPV could convert sun energy into electricity even in underwater environments. It is observed that there is a little drop in power outputs in deep waters than to shallow waters due to the variation in incident sunlight on to the photovoltaic (PV) module. Based on the outcome, few possible applications for underwater PV system are explored. The article is concluded by highlighting few critical points for future research.
关键词： Photovoltaics,thin films,underwater PV applications,underwater photovoltaics,underwater PV performance,sub-merged PV,PV in deep waters,floating photovoltaics,power conversion efficiency,PV cells
更新于2025-09-12 10:27:22
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Influence of Poly(Vinylidene fluoride) on photovoltaic performance of interfacially engineered band gap modulated P3TAA-co-P3HT perovskite solar cell at ambient condition
摘要： Recently, mixing of foreign polymers with perovskite increases light absorption yielding a large increase of power conversion efficiency (PCE) and also increasing longevity of perovskite solar cells (PSCs). The previous studies are limited at dry or at very low humid conditions. Here, for practical use, we report a new series of poly(vinylidene fluoride) (PVDF)- perovskite (MAPbI3) hybrid solar cells made from different PVDF concentrations e.g. 0.0, 0.25, 0.5, 1.0, 2.5, 5.0 mg/ml, and are designated as H1, H2, H3, H4, H5, and H6, respectively. The average grain size, measured from SEM images of MAPbI3 (312±91 nm) has decreased with increasing PVDF concentration showing a minimum (215±43 nm) for H5 sample. UV-Vis absorption spectra show the highest absorption for H5 sample for all the wavelengths. The intensities and width of X-ray diffraction peaks increase in the hybrids (H3 and H5) from pristine perovskite indicating increase of crystallinity and crystalline size. We have used an interfacially engineered, band gap modulated poly(3-thiophene acetic acid)–co-poly(3-hexyl thiohene) P3TTA - co - P3HT, with 43 mol% P3TAA content as hole transporting material (HTM) and TiO2 as electron transporting material (ETM) to fabricate the cell. The PCE, measured on illumination with a light of one sun at ambient condition (humidity 75-85%, temperature 30 oC), is 12 % for H5 PSC, highest reported so far, and it is 20% higher from pristine PSC. The incident photon to current conversion efficiency (IPCE) data exhibit strong absorption in the broad range 300-800 nm showing a maximum IPCE value of 84 %. Impedance spectral data indicate that lifetime of photo-generated charges are highest (48.4 ms) explaining the highest PCE value for H5-PSC compared to other hybrids. The longevity of the H5-PSC is significantly (54%) higher than PSC made with pristine perovskite measured and stored under identical ambient condition.
关键词： perovskite solar cells,crystallinity,grain size,poly(vinylidene fluoride),power conversion efficiency,ambient condition
更新于2025-09-12 10:27:22
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A medium-bandgap small molecule donor compatible with both fullerene and unfused-ring nonfullerene acceptors for efficient organic solar cells
摘要： Here we designed and synthesized a new small molecule donor DRC4TB with an alkylthiothienyl-substituted benzodithiophene as the core and 3-butyl rhodanine as the terminal group, which showed an optical bandgap of 1.87 eV. DRC4TB was compatible with both a fullerene acceptor (PC71BM) and an unfused-ring non-fullerene acceptor (HF-PCIC). The optimized DRC4TB:PC71BM and DRC4TB:HF-PCIC solar cells delivered comparable power conversion efficiencies (PCEs) of 8.53% and 8.68%, respectively.
关键词： small molecule donor,nonfullerene acceptor,organic solar cells,fullerene acceptor,power conversion efficiencies
更新于2025-09-12 10:27:22
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A linear D–π–A based hole transport material for high performance rigid and flexible planar organic–inorganic hybrid perovskite solar cells
摘要： A facile and less expensive hole transport material is essential to enhance the power conversion efficiency (PCE) of perovskite solar cells (PSC) without compromising the ambient stability. Here, we designed and synthesized a new class of HTM by introducing donor–π–acceptor (D–π–A). The HTM was synthesized by combining the moieties of triphenylamine, biphenyl and oxadiazole derivatives as electron donating, π-spacer and electron withdrawing moieties, respectively, named 4′-(5-(4-(hexyloxy)phenyl)-1,3,4-oxadiazol-2-yl)-N,N-bis(4-methoxyphenyl)-[1,1′:4′,1′′:4′′,1′′′-quaterphenyl]-4-amine (TPA-BP-OXD). The π–π conjugation is increased by introducing the biphenyl π-spacer. The HTM was terminated with an OXD-based moiety and framed as a D–π–A-based HTM that trigged improvement in the charge transportation properties due to its π–π interactions. We rationally investigated the HTM by characterizing its photophysical, thermal, electrochemical, and charge transport properties. The great features of the HTM stimulated us to explore it on rigid and flexible substrates as a dopant-free HTM in planar inverted-perovskite solar cells (i-PSCs). The device performance in solution processed dopant-free HTM based i-PSC devices on both rigid and flexible substrates showed PCEs of 15.46% and 12.90%, respectively. The hysteresis is negligible, which is one of the most effective results based on a TPA-BP-OXD HTM in planar i-PSCs. The device performance and stability based on the TPA-BP-OXD HTM are better due to higher extraction and transportation of holes from the perovskite material, reduced charge recombination at the interface, and enhanced hydrophobicity of the HTM to compete for a role in enhancing the stability. Overall, our findings demonstrate the potentiality of the TPA-BP-OXD based HTM in planar i-PSCs.
关键词： perovskite solar cells,hole transport material,donor–π–acceptor,power conversion efficiency,flexible substrates
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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[IEEE TENCON 2019 - 2019 IEEE Region 10 Conference (TENCON) - Kochi, India (2019.10.17-2019.10.20)] TENCON 2019 - 2019 IEEE Region 10 Conference (TENCON) - Analysis of Stable, Environment Friendly and Highly Efficient Perovskite Solar Cell
摘要： Highly efficient organo halide perovskite solar cells (PSC) have organic hole transporting material (HTM) and lead based absorber layer. However, organic HTMs are very costly and unstable. Moreover, lead is very toxic and hence harmful to environment. This paper presents a numerical analysis of PSC using SCAPS-1D software with inorganic CuI as HTM, CH3NH3SnI3 as absorber and SnO2 as ETM. The performance of the structure has been analyzed by varying the absorber thickness, dopant density and defect density. The doping density and electron affinity of HTM are also varied to optimize the PSC performance. It is found that absorber with heavy doping (above 1016 cm-3) reduces the efficiency due to enhanced recombination rate. An optimum absorber layer defect density of ~1014 cm-3 has been identified as well. The final efficiency is found to be 24.22% considering all the optimized parameters. The analysis shown in this paper will be helpful for designing a highly efficient, environment friendly and stable PSC.
关键词： SCAPS-1D,SnO2,Perovskite solar cell,inorganic HTM,CH3NH3SnI3,power conversion efficiency
更新于2025-09-12 10:27:22
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Enhancing phase separation with a conformation-locked nonfullerene acceptor for over 14.4% efficiency solar cells
摘要： To fine-tune the morphology and miscibility of the active layer of organic solar cells (OSCs), the molecular backbone design and sidechain control are necessary but complex and challenging for acceptor–donor–acceptor type nonfullerene acceptors. In this work, both fluorination on accepting ends and sidechain modification on the central donating core were optimized for the design of fused-ring electron acceptors (FREAs). The sidechain-locked conformation finely modulates the molecular energy levels and improves the miscibility with weakened structural order. Fluorination effectively enhances the crystallinity to afford an enlarged phase separation and higher domain purity. Benefiting from their synergistic effects, the as-designed ITC6-4F when blended with the PM7 polymer donor enables an impressive power conversion efficiency of 14.47% with a high VOC of 0.90 V and improved FF of 74.31%, which is much higher than those of the devices based on reference FREAs without fluorination (8.21%) or conformation lock (12.48%). Our results demonstrate that enhancing phase separation with a conformation-locked nonfullerene acceptor could be an effective way for further improving the related performance of OSCs.
关键词： nonfullerene acceptors,organic solar cells,fluorination,power conversion efficiency,phase separation
更新于2025-09-12 10:27:22
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Oblique Electrostatic Inkjet-Deposited TiO2 Electron Transport Layers for Efficient Planar Perovskite Solar Cells
摘要： In this study, a new, simple, and novel oblique electrostatic inkjet (OEI) technique is developed to deposit a titanium oxide (TiO2) compact layer (CL) on fluorine-doped tin oxide (FTO) substrate without the need for a vacuum environment for the first time. The TiO2 is used as electron transport layers (ETL) in planar perovskite solar cells (PSCs). This bottom-up OEI technique enables the control of the surface morphology and thickness of the tio2 cL by simply manipulating the coating time. the oei-fabricated tio2 is characterized tested and the results are compared with that of tio2 cLs produced by spin-coating and spray pyrolysis. the oei-deposited tio2 cL exhibits satisfactory surface coverage and smooth morphology, conducive for the ETLs in PSCs. The power-conversion efficiencies of PSCs with oei-deposited tio2 CL as the ETL were as high as 13.19%. Therefore, the present study provides an important advance in the effort to develop simple, low-cost, and easily scaled-up techniques. OEI may be a new candidate for depositing tio2 CL ETLs for highly efficient planar PSCs, thus potentially contributing to future mass production.
关键词： electron transport layers,oblique electrostatic inkjet,power-conversion efficiencies,planar perovskite solar cells,TiO2
更新于2025-09-12 10:27:22