| 1. |
- Marinado, Tannia, et al.
(författare)
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Surface Molecular Quantification and Photoelectrochemical Characterization of Mixed Organic Dye and Coadsorbent Layers on TiO2 for Dye-Sensitized Solar Cells
- 2010
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Ingår i: The Journal of Physical Chemistry C. - : American Chemical Society (ACS). - 1932-7447 .- 1932-7455. ; 114:27, s. 11903-11910
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Tidskriftsartikel (refereegranskat)abstract
- Different molecular layers on TiO2 were prepared by using the p-dimethylaniline triphenylamine based organic dye, D29, together with the coadsorbents decylphosphonic acid (DPA), dineohexyl bis(3,3-dimethylbutyl)phosphinic acid (DINHOP), and chenodeoxycholic acid (CDCA). The surface molecular structure of dye and coadsorbent layers on TiO2 was investigated by photoelectron spectroscopy (PES). A focus was to determine the surface molecular concentrations using characteristic photoelectron core levels. Dye-sensitized solar cells (DSCs) were prepared from the same substrate and were further characterized by photoelectrochemical methods. Together the investigation gives information on the arrangement of the mixed molecular layer and a first insight to the extent to which the coadsorbents exchange with dye molecules on the TiO2 surface for the examined conditions.
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| 2. |
- Nazeeruddin, M. K., et al.
(författare)
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DFT-INDO/S modeling of new high molar extinction coefficient charge-transfer sensitizers for solar cell applications
- 2006
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Ingår i: Inorganic Chemistry. - : American Chemical Society (ACS). - 0020-1669 .- 1520-510X. ; 45:2, s. 787-797
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Tidskriftsartikel (refereegranskat)abstract
- A new ruthenium(II) complex, tetrabutylammonium [ruthenium (4-carboxylic acid-4'-carboxylate-2,2'-bipyridine)(4,4'-di(2-(3,6-dimethoxyphenyl)ethenyl)-2,2'-bipyridine)(NCS)(2)] (N945H), was synthesized and characterized by analytical, spectroscopic, and electrochemical techniques. The absorption spectrum of the N945H sensitizer is dominated by metal-to-ligand charge-transfer (MLCT) transitions in the visible region, with the lowest allowed MLCT bands appearing at 25 380 and 18 180 cm(-1). The molar extinction coefficients of these bands are 34 500 and 18 900 M-1 cm(-1), respectively, and are significantly higher when compared to than those of the standard sensitizer cis-dithiocyanatobis(4,4'-dicarboxylic acid-2,2'-bipyridine)ruthenium(II). An INDO/S and density functional theory study of the electronic and optical properties of N945H and of N945 adsorbed on TiO2 was performed. The calculations point out that the top three frontier-filled orbitals have essentially ruthenium 4d (t(2g) in the octahedral group) character with sizable contribution coming from the NCS ligand orbitals. Most critically the calculations reveal that, in the TiO2-bound N945 sensitizer, excitation directs charge into the carboxylbipyridine ligand bound to the TiO2 surface. The photovoltaic data of the N945 sensitizer using an electrolyte containing 0.60 M butylmethylimidazolium iodide, 0.03 M I-2, 0.10 M guanidinium thiocyanate, and 0.50 M tert-butylpyridine in a mixture of acetonitrile and valeronitrile (volume ratio = 85:15) exhibited a short-circuit photocurrent density of 16.50 +/- 0.2 mA cm(-2), an open-circuit voltage of 790 +/- 30 mV, and a fill factor of 0.72 +/- 0.03, corresponding to an overall conversion efficiency of 9.6% under standard AM (air mass) 1.5 sunlight, and demonstrated a stable performance under light and heat soaking at 80 degrees C.
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| 3. |
- Abdi-Jalebi, Mojtaba, et al.
(författare)
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Dedoping of Lead Halide Perovskites Incorporating Monovalent Cations
- 2018
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Ingår i: ACS Nano. - : American Chemical Society (ACS). - 1936-0851 .- 1936-086X. ; 12:7, s. 7301-7311
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Tidskriftsartikel (refereegranskat)abstract
- We report significant improvements in the optoelectronic properties of lead halide perovskites with the addition of monovalent ions with ionic radii close to Pb2+. We investigate the chemical distribution and electronic structure of solution processed CH3NH3PbI3 perovskite structures containing Na+, Cu+, and Ag+, which are lower valence metal ions than Pb2+ but have similar ionic radii. Synchrotron X-ray diffraction reveals a pronounced shift in the main perovskite peaks for the monovalent cation-based films, suggesting incorporation of these cations into the perovskite lattice as well as a preferential crystal growth in Ag+ containing perovskite structures. Furthermore, the synchrotron X-ray photoelectron measurements show a significant change in the valence band position for Cu- and Ag-doped films, although the perovskite bandgap remains the same, indicating a shift in the Fermi level position toward the middle of the bandgap. Such a shift infers that incorporation of these monovalent cations dedope the n-type perovskite films when formed without added cations. This dedoping effect leads to cleaner bandgaps as reflected by the lower energetic disorder in the monovalent cation-doped perovskite thin films as compared to pristine films. We also find that in contrast to Ag+ and Cu+, Na+ locates mainly at the grain boundaries and surfaces. Our theoretical calculations confirm the observed shifts in X-ray diffraction peaks and Fermi level as well as absence of intrabandgap states upon energetically favorable doping of perovskite lattice by the monovalent cations. We also model a significant change in the local structure, chemical bonding of metal-halide, and the electronic structure in the doped perovskites. In summary, our work highlights the local chemistry and influence of monovalent cation dopants on crystallization and the electronic structure in the doped perovskite thin films.
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| 4. |
- Alharbi, Essa A., et al.
(författare)
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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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Ingår i: Advanced Energy Materials. - : John Wiley & Sons. - 1614-6832 .- 1614-6840. ; 11:16
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Tidskriftsartikel (refereegranskat)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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| 5. |
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| 6. |
- Kavan, Ladislav, et al.
(författare)
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Electrochemical Properties of Cu(II/I)-Based Redox Mediators for Dye-Sensitized Solar Cells
- 2017
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Ingår i: Electrochimica Acta. - : PERGAMON-ELSEVIER SCIENCE LTD. - 0013-4686 .- 1873-3859. ; 227, s. 194-202
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Tidskriftsartikel (refereegranskat)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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| 7. |
- Kavan, Ladislav, et al.
(författare)
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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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Ingår i: Electrochimica Acta. - : PERGAMON-ELSEVIER SCIENCE LTD. - 0013-4686 .- 1873-3859. ; 251, s. 167-175
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Tidskriftsartikel (refereegranskat)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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| 8. |
- Krishna, Anurag, et al.
(författare)
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Mitigating the Heterointerface Driven Instability in Perovskite Photovoltaics
- 2023
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Ingår i: ACS Energy Letters. - : American Chemical Society (ACS). - 2380-8195. ; 8:8, s. 3604-3613
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Tidskriftsartikel (refereegranskat)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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| 9. |
- Krishna, Anurag, et al.
(författare)
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Nanoscale interfacial engineering enables highly stable and efficient perovskite photovoltaics
- 2021
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Ingår i: Energy & Environmental Science. - : Royal Society of Chemistry. - 1754-5692 .- 1754-5706. ; 14:10, s. 5552-5562
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Tidskriftsartikel (refereegranskat)abstract
- We present a facile molecular-level interface engineering strategy to augment the long-term operational and thermal stability of perovskite solar cells (PSCs) by tailoring the interface between the perovskite and hole transporting layer (HTL) with a multifunctional ligand 2,5-thiophenedicarboxylic acid. The solar cells exhibited high operational stability (maximum powering point tracking at one sun illumination) with a stabilized T-S80 (the time over which the device efficiency reduces to 80% after initial burn-in) of approximate to 5950 h at 40 degrees C and a stabilized power conversion efficiency (PCE) over 23%. The origin of high device stability and performance is correlated to the nano/sub-nanoscale molecular level interactions between ligand and perovskite layer, which is further corroborated by comprehensive multiscale characterization. These results provide insights into the modulation of the grain boundaries, local density of states, surface bandgap, and interfacial recombination. Chemical analysis of aged devices showed that molecular passivation suppresses interfacial ion diffusion and inhibits the photoinduced I-2 release that irreversibly degrades the perovskite. The interfacial engineering strategies enabled by multifunctional ligands can expedite the path towards stable PSCs.
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| 10. |
- Saygili, Yasemin, et al.
(författare)
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Copper Bipyridyl Redox Mediators for Dye-Sensitized Solar Cells with High Photovoltage
- 2016
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Ingår i: Journal of the American Chemical Society. - : American Chemical Society (ACS). - 0002-7863 .- 1520-5126. ; 138:45, s. 15087-15096
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Tidskriftsartikel (refereegranskat)abstract
- Redox mediators play a major role determining the photocurrent and the photovoltage in dye-sensitized solar cells (DSCs). To maintain the photocurrent, the reduction of oxidized dye by the redox mediator should be significantly faster than the electron back transfer between TiO2 and the oxidized dye. The driving force for dye regeneration with the redox mediator should be sufficiently low to provide high photovoltages. With the introduction of our new copper complexes as promising redox mediators in DSCs both criteria are satisfied to enhance power conversion efficiencies. In this study, two copper bipyridyl complexes, Cu-(II/I)(dmby)(2)TFSI2/1 (0.97 V vs SHE, dmby = 6,6'-dimethyl-2,2'-bipyridine) and Cu-(II/I)(tmby)(2)TFSI2/1 (0.87 V vs SHE, tmby = 4,4',6,6'-tetramethyl-2,2'-bipyridine), are presented as new redox couples for DSCs. They are compared to previously reported Cu-(II/I)(dmp)(2)TFSI2/1 (0.93 V vs SHE, dmp = bis(2,9-dimethyl-1,10-phenanthroline). Due to the small reorganization energy between Cu(I) and Cu(II) species, these copper complexes can sufficiently regenerate the oxidized dye molecules with close to unity yield at driving force potentials as low as 0.1 V. The high photovoltages of over 1.0 V were achieved by the series of copper complex based redox mediators without compromising photocurrent densities. Despite the small driving forces for dye regeneration, fast and efficient dye regeneration (2-3 mu s) was observed for both complexes. As another advantage, the electron back transfer (recombination) rates were slower with Cu-(II/I)(tmby)(2)TFSI2/1 as evidenced by longer lifetimes. The solar-to-electrical power conversion efficiencies for [Cu(tmby)(2)](2+/1+), [Cu(dmby)(2)](2+/1+) , and [Cu(dmp)(2)](2+/1+) based electrolytes were 10.3%, 10.0%, and 10.3%, respectively, using the organic Y123 dye under 1000 W m(-2) AM1.5G illumination. The high photovoltaic performance of Cu-based redox mediators underlines the significant potential of the new redox mediators and points to a new research and development direction for DSCs.
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