| 1. |
- Ahlawat, Paramvir, et al.
(author)
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A combined molecular dynamics and experimental study of two-step process enabling low-temperature formation of phase-pure alpha-FAPbI3
- 2021
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In: Science Advances. - : American Association for the Advancement of Science (AAAS). - 2375-2548. ; 7:17
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Journal article (peer-reviewed)abstract
- It is well established that the lack of understanding the crystallization process in a two-step sequential deposition has a direct impact on efficiency, stability, and reproducibility of perovskite solar cells. Here, we try to understand the solid-solid phase transition occurring during the two-step sequential deposition of methylammonium lead iodide and formamidinium lead iodide. Using metadynamics, x-ray diffraction, and Raman spectroscopy, we reveal the microscopic details of this process. We find that the formation of perovskite proceeds through intermediate structures and report polymorphs found for methylammonium lead iodide and formamidinium lead iodide. From simulations, we discover a possible crystallization pathway for the highly efficient metastable alpha phase of formamidinium lead iodide. Guided by these simulations, we perform experiments that result in the low-temperature crystallization of phase-pure alpha-formamidinium lead iodide.
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| 2. |
- Alharbi, Essa A., et al.
(author)
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Formation of High-Performance Multi-Cation Halide Perovskites Photovoltaics by delta-CsPbI3/delta-RbPbI3 Seed-Assisted Heterogeneous Nucleation
- 2021
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In: Advanced Energy Materials. - : John Wiley & Sons. - 1614-6832 .- 1614-6840. ; 11:16
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Journal article (peer-reviewed)abstract
- The performance of perovskite solar cells is highly dependent on the fabrication method; thus, controlling the growth mechanism of perovskite crystals is a promising way towards increasing their efficiency and stability. Herein, a multi-cation halide composition of perovskite solar cells is engineered via the two-step sequential deposition method. Strikingly, it is found that adding mixtures of 1D polymorphs of orthorhombic delta-RbPbI3 and delta-CsPbI3 to the PbI2 precursor solution induces the formation of porous mesostructured hexagonal films. This porosity greatly facilitates the heterogeneous nucleation and the penetration of FA (formamidinium)/MA (methylammonium) cations within the PbI2 film. Thus, the subsequent conversion of PbI2 into the desired multication cubic alpha-structure by exposing it to a solution of formamidinium methylammonium halides is greatly enhanced. During the conversion step, the delta-CsPbI3 also is fully integrated into the 3D mixed cation perovskite lattice, which exhibits high crystallinity and superior optoelectronic properties. The champion device shows a power conversion efficiency (PCE) over 22%. Furthermore, these devices exhibit enhanced operational stability, with the best device retaining more than 90% of its initial value of PCE under 1 Sun illumination with maximum power point tracking for 400 h.
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| 3. |
- Ferdowsi, Parnian, et al.
(author)
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Molecular Design of Efficient Organic D-A-pi-A Dye Featuring Triphenylamine as Donor Fragment for Application in Dye-Sensitized Solar Cells
- 2018
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In: ChemSusChem. - : WILEY-V C H VERLAG GMBH. - 1864-5631 .- 1864-564X. ; 11:2, s. 494-502
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Journal article (peer-reviewed)abstract
- A metal-free organic sensitizer, suitable for the application in dye-sensitized solar cells (DSSCs), has been designed, synthesized and characterized both experimentally and theoretically. The structure of the novel donor-acceptor--bridge-acceptor (D-A-pi-A) dye incorporates a triphenylamine (TPA) segment and 4-(benzo[c][1,2,5]thiadiazol-4-ylethynyl)benzoic acid (BTEBA). The triphenylamine unit is widely used as an electron donor for photosensitizers, owing to its nonplanar molecular configuration and excellent electron-donating capability, whereas 4-(benzo[c][1,2,5]thiadiazol-4-ylethynyl)benzoic acid is used as an electron acceptor unit. The influences of I-3(-)/I-, [Co(bpy)(3)](3+/2+) and [Cu(tmby)(2)](2+/+) (tmby=4,4,6,6-tetramethyl-2,2-bipyridine) as redox electrolytes on the DSSC device performance were also investigated. The maximal monochromatic incident photon-to-current conversion efficiency (IPCE) reached 81% and the solar light to electrical energy conversion efficiency of devices with [Cu(tmby)(2)](2+/+) reached 7.15%. The devices with [Co(bpy)(3)](3+/2+) and I-3(-)/I- electrolytes gave efficiencies of 5.22% and 6.14%, respectively. The lowest device performance with a [Co(bpy)(3)](3+/2+)-based electrolyte is attributed to increased charge recombination.
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| 4. |
- Ferdowsi, Parnian, et al.
(author)
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Molecular Engineering of Simple Metal-Free Organic Dyes Derived from Triphenylamine for Dye-Sensitized Solar Cell Applications
- 2020
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In: ChemSusChem. - : Wiley. - 1864-5631 .- 1864-564X. ; 13:1, s. 212-220
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Journal article (peer-reviewed)abstract
- Two new metal-free organic sensitizers, L156 and L224, were designed, synthesized, and characterized for application in dye-sensitized solar cells (DSCs). The structures of the dyes contain a triphenylamine (TPA) segment and 4-(benzo[c][1,2,5]thiadiazol-4-yl)benzoic acid as electron-rich and -deficient moieties, respectively. Two different pi bridges, thiophene and 4,8-bis(4-hexylphenyl)benzo[1,2-b:4,5-b ']dithiophene, were used for L156 and L224, respectively. The influence of iodide/triiodide, [Co(bpy)(3)](2+/3+) (bpy=2,2 '-bipyridine), and [Cu(tmby)(2)](2+/+) (tmby=4,4 ',6,6 '-tetramethyl-2,2 '-bipyridine) complexes as redox electrolytes and 18 NR-T and 30 NR-D transparent TiO2 films on the DSC device performance was investigated. The L156-based DSC with [Cu(tmby)(2)](2+/+) complexes as the redox electrolyte resulted in the best performance of 9.26 % and a remarkably high open-circuit voltage value of 1.1 V (1.096 V), with a short-circuit current of 12.2 mA cm(-2) and a fill factor of 0.692, by using 30 NR-D TiO2 films. An efficiency of up to 21.9 % was achieved under a 1000 lx indoor light source, which proved that dye L156 was also an excellent candidate for indoor applications. The maximal monochromatic incident-photon-to-current conversion efficiency of L156-30 NR-D reached up to 70 %.
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| 5. |
- Freitag, Marina, et al.
(author)
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Dye-sensitized solar cells for efficient power generation under ambient lighting
- 2017
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In: Nature Photonics. - : NATURE PUBLISHING GROUP. - 1749-4885 .- 1749-4893. ; 11:6, s. 372-
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Journal article (peer-reviewed)abstract
- Solar cells that operate efficiently under indoor lighting are of great practical interest as they can serve as electric power sources for portable electronics and devices for wireless sensor networks or the Internet of Things. Here, we demonstrate a dye-sensitized solar cell (DSC) that achieves very high power-conversion efficiencies (PCEs) under ambient light conditions. Our photosystem combines two judiciously designed sensitizers, coded D35 and XY1, with the copper complex Cu(II/I)(tmby) as a redox shuttle (tmby, 4,4', 6,6'-tetramethyl-2,2'-bipyridine), and features a high open-circuit photovoltage of 1.1 V. The DSC achieves an external quantum efficiency for photocurrent generation that exceeds 90% across the whole visible domain from 400 to 650 nm, and achieves power outputs of 15.6 and 88.5 mu W cm(-2) at 200 and 1,000 lux, respectively, under illumination from a model Osram 930 warm-white fluorescent light tube. This translates into a PCE of 28.9%.
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| 6. |
- Jeong, Jaeki, et al.
(author)
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Pseudo-halide anion engineering for α-FAPbI3 perovskite solar cells
- 2021
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In: Nature. - : Springer Nature. - 0028-0836 .- 1476-4687. ; 592:7854, s. 381-385
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Journal article (peer-reviewed)abstract
- Metal halide perovskites of the general formula ABX(3)-where A is a monovalent cation such as caesium, methylammonium or formamidinium; B is divalent lead, tin or germanium; and X is a halide anion-have shown great potential as light harvesters for thin-film photovoltaics(1-5). Among a large number of compositions investigated, the cubic a-phase of formamidinium lead triiodide (FAPbI(3)) hasemerged as the most promising semiconductor for highly efficient and stable perovskite solar cells(6-9), and maximizing the performance of this material in such devices is of vital importance for the perovskite researchcommunity. Here we introduce an anion engineering concept that uses the pseudo-halide anion formate (HCOO-) to suppress anion-vacancy defects that are present at grain boundaries and at the surface of the perovskite films and to augment the crystallinity of the films. Theresulting solar cell devices attain a power conversion efficiency of 25.6 per cent (certified 25.2 per cent), have long-term operational stability (450 hours) and show intense electroluminescence with external quantum efficiencies of more than 10 per cent. Our findings provide a direct route to eliminate the most abundant and deleterious lattice defects present in metal halide perovskites, providing a facile access to solution-processable films with improved optoelectronic performance.
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| 7. |
- Kavan, Ladislav, et al.
(author)
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Electrochemical Properties of Cu(II/I)-Based Redox Mediators for Dye-Sensitized Solar Cells
- 2017
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In: Electrochimica Acta. - : PERGAMON-ELSEVIER SCIENCE LTD. - 0013-4686 .- 1873-3859. ; 227, s. 194-202
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Journal article (peer-reviewed)abstract
- Three Cu(II/I)-phenanthroline and Cu(II/I)-bipyridine redox mediators are studied on various electrodes and in variety of electrolyte solutions using cyclic voltammetry and impedance spectroscopy on symmetrical dummy cells. Graphene-based catalysts provide comparably high activity to PEDOT, and both catalysts outperform the activity of platinum. The charge-transfer kinetics and the diffusion rate significantly slowdown in the presence 4-tert-butylpyridine. This effect is specific only for Cu-mediators (is missing for Co-mediators), and is ascribed to a sensitivity of the coordination sphere of the Cu(II)-species to structural and substitutional changes. The 'Zombie Cells' made from symmetrical PEDOT/PEDOT devices exhibit enhanced charge-transfer rate and enhanced diffusion resistance. Electrochemically clean Cu(II)-bipyridine species are prepared, for the first time, by electrochemical oxidation of the parent Cu(I) complexes. Our preparative electrolysis brings numerous advantages over the standard chemical syntheses of the Cu(II)-bipyridine complexes. The superior performance of electrochemically grown clean Cu(II)-bipyridine complex is demonstrated on practical dye-sensitized solar cells. (C) 2016 Elsevier Ltd. All rights reserved.
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| 8. |
- Kavan, Ladislav, et al.
(author)
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Novel highly active Pt/graphene catalyst for cathodes of Cu(II/I)-mediated dye-sensitized solar cells
- 2017
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In: Electrochimica Acta. - : PERGAMON-ELSEVIER SCIENCE LTD. - 0013-4686 .- 1873-3859. ; 251, s. 167-175
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Journal article (peer-reviewed)abstract
- Novel highly active, optically-transparent electrode catalyst containing Pt, PtOx, graphene oxide and stacked graphene platelet nanofibers is developed for a cathode of Cu(II/I)-mediated dye-sensitized solar cells. The catalyst layer is deposited on a FTO substrate, which thus becomes smoother than the parent FTO, but the button-like Pt/PtOx nanoparticles are still distinguishable. The found electrocatalytic activity for the Cu(tmby)(2)(2+/+) redox couple (tmby is 4,4', 6,6'-tetramethyl-2,2'-bipyridine) is outperforming that of alternative catalysts, such as PEDOT or platinum. Exchange current densities exceeding 20 mA/cm(2) are provided exclusively by our novel catalyst. The synergic boosting of electrocatalytic activity is seen, if we normalize it to the catalytic performance of individual components, i.e. Pt and graphene nanofibers. The outstanding properties of our cathode are reflected by the performance of the corresponding solar cells using the Y123-sensitized titania photoanode. Champion solar-conversion efficiency (11.3% at 0.1 sun) together with a fill factor of 0.783 compare favorably to all other so far reported best values for this kind of solar cells and the given experimental conditions.
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| 9. |
- Kim, Minjin, et al.
(author)
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Conformal quantum dot-SnO2 layers as electron transporters for efficient perovskite solar cells
- 2022
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In: Science. - : American Association for the Advancement of Science (AAAS). - 0036-8075 .- 1095-9203. ; 375:6578, s. 302-306
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Journal article (peer-reviewed)abstract
- Improvements to perovskite solar cells (PSCs) have focused on increasing their power conversion efficiency (PCE) and operational stability and maintaining high performance upon scale-up to module sizes. We report that replacing the commonly used mesoporous-titanium dioxide electron transport layer (ETL) with a thin layer of polyacrylic acid-stabilized tin(IV) oxide quantum dots (paa-QD-SnO2) on the compact-titanium dioxide enhanced light capture and largely suppressed nonradiative recombination at the ETL-perovskite interface. The use of paa-QD-SnO2 as electron-selective contact enabled PSCs (0.08 square centimeters) with a PCE of 25.7% (certified 25.4%) and high operational stability and facilitated the scale-up of the PSCs to larger areas. PCEs of 23.3, 21.7, and 20.6% were achieved for PSCs with active areas of 1, 20, and 64 square centimeters, respectively.
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| 10. |
- Krishna, Anurag, et al.
(author)
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Mitigating the Heterointerface Driven Instability in Perovskite Photovoltaics
- 2023
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In: ACS Energy Letters. - : American Chemical Society (ACS). - 2380-8195. ; 8:8, s. 3604-3613
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Journal article (peer-reviewed)abstract
- Metal halide perovskites have thepotential to revolutionizethefield of photovoltaics, though limited stability has impeded commercialexploitation. The soft heterointerface between the perovskite andcharge-transporting layer is one of the major bottlenecks that limitsoperational stability. Here, we present rationally designed molecularmodulators that synergistically improve the stability of the & alpha;-FAPbI(3)-based perovskite solar cells while retaining power conversionefficiency (PCE) of 24.0% with a high open-circuit voltage (V (OC)) of & SIM;1.195 V. The interfacially modifiedphotovoltaic cells exhibit high operational stability, whereby thechampion device retains & SIM;88% of initial performance after 2000h of maximum power point tracking at 40 & DEG;C and 1 sun illumination.The molecular origins of such enhanced stability and device performanceare corroborated by multiscale characterization techniques and modeling,providing insights into the origins of performance and stability enhancements.
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