Exploring fullerene derivatives for optoelectronic applications: synthesis and characterization study.

In this study, we conducted a comprehensive investigation of newly synthesized fullerene derivatives developed for potential application in perovskite solar cells (PSCs). We explored three novel dihydrofuran-fused C60 fullerene derivatives (13, 14, and 15) that were specifically designed to enhance solubility and interaction with the substrate, fluorine-doped tin oxide (FTO). A comparative analysis was performed, with reference to the widely used phenyl-C61-butyric acid methyl ester (PCBM) and compound 12, from which 13, 14, and 15 are derived, to assess the impact of sugar units on materials properties. The synthesized compounds demonstrated significant solubility in common organic solvents, a critical factor in their potential application in wet-processed PSCs. Our investigation included electrochemical property analysis, thin film deposition, surface characterization, and electrochemical impedance spectroscopy (EIS). EIS measurements unveiled key insights into charge transfer properties at the electrode/electrolyte interface, making the compounds attractive candidates for electron transport layers (ETLs) in PSCs.

Influence of Perovskite Interface Morphology on the Photon Management in Perovskite/Silicon Tandem Solar Cells.

Perovskite/silicon tandem solar cells are considered as one of the cost-effective solutions for determining high energy conversion efficiencies. Efficient photon management allows improving light incoupling in solar cells by reducing optical losses. The optics relies upon the interface morphology, and consequently, the growth mechanism of the top cell on the bottom cell is crucial for the implementation of efficient perovskite/silicon tandem solar cells. To describe the interface morphologies of perovskite/silicon tandem solar cells, a three-dimensional surface algorithm is used that allows investigating the perovskite solar cells deposited on the textured crystalline silicon solar cells. We distinguish between two extreme cases in which the film grows only in the direction of the substrate normal or in the direction of the local surface normal. The growth mode has significant influence on the film roughness, the effective thickness of the film, the optics of the solar cell, and the photovoltaic parameters. The optics is investigated by finite-differencetime-domain simulations. The influence of the interface morphology on the photovoltaic parameters is discussed, and guidelines are provided to reach high short-circuit current density and energy conversion efficiency.

Insights into ultrafast charge-pair dynamics in P3HT:PCBM devices under the influence of static electric fields.

Polymer-fullerene blends based on poly(3-hexylthiophene-2,5-diyl) (P3HT) and phenyl-C61-butyric-acid methyl ester (PCBM) have been extensively studied as promising bulk heterojunction materials for organic semiconductor devices with improved performance. In these donor-acceptor systems where the bulk morphology plays a crucial role, the generation and subsequent decay mechanisms of photoexcitation species are still not completely understood. In this work, we use femtosecond transient absorption spectroscopy to investigate P3HT:PCBM diodes under the influence of applied static electric fields in comparison to P3HT:PCBM thin films. At the same time, we try to present a detailed overview about work already done on these donor-acceptor systems. The excited state dynamics obtained at 638 nm from P3HT:PCBM thin films are found to be similar to those observed earlier in neat P3HT films, while those obtained in the P3HT:PCBM devices are affected by field-induced exciton dissociation, resulting not only in comparatively slower decay dynamics, but also in bimolecular deactivation processes. External electric fields are expected to enhance charge generation in the investigated P3HT:PCBM devices by dissociating excitons and loosely bound intermediate species like polaron pairs (PPs) and charge transfer (CT) excitons, which can already dissociate only due to the intrinsic fields at the donor-acceptor interfaces. Our results clearly establish the formation of PP-like transient species different from CT excitons in the P3HT:PCBM devices as a result of a field-induced diffusion-controlled exciton dissociation process. We find that the loosely bound transient species formed in this way also are reduced in part via a bimolecular annihilation process resulting in charge loss in typical donor-acceptor P3HT:PCBM bulk heterojunction semiconductor devices, which is a rather interesting finding important for a better understanding of the performance of these devices.

Ultrafast polaron-pair dynamics in a poly(3-hexylthiophene-2,5-diyl) device influenced by a static electric field: insights into electric-field-related charge loss.

The generation and decay mechanisms of polaron pairs in organic semiconductor-based optoelectronic devices under operational conditions are relevant for a better understanding of photophysical processes affecting the device performance, since the possible occurrence of a polaron pair introduces an intermediate step in exciton dissociation into fully separated charge carriers. The role played by static electric fields in polaron-pair dynamics is important but poorly understood or not investigated in detail. In this work, insights into the polaron-pair dynamics in neat poly(3-hexylthiophene-2,5-diyl) (P3HT) thin films and P3HT films sandwiched between electrical contacts with an applied external static electric field are probed using femtosecond pump-probe transient absorption spectroscopy. Asymmetric contacts result in P3HT devices with application-related diode characteristics. Consistent with the electric field-induced dissociation of oppositely charged species, we show that polaron-pair dissociation into charge carriers occurs in the P3HT device more significantly with increasing reverse bias, and that this process follows an initial instantaneous polaron-pair photoabsorption quenching due to a pronounced immediate loss of primary photoexcitation species (hot excitons). Furthermore, we show that the net-electric field present in the P3HT diode (including built-in-potential at 0 V bias) results in a more complex dynamics with new findings as compared to the neat-P3HT thin film case. Indeed, besides polaron pairs directly originating from hot excitons, we experimentally observe polaron-pair formation during exciton dissociation via a field-mediated generation process, resulting in a slower contribution to the overall decay dynamics. Moreover, unlike in the external electric field-free P3HT film, bimolecular annihilation processes clearly appear as an additional loss channel when a field is applied and hence have an impact on carrier generation performance in a working device.

Synthesis and Characterization of Oxazaborinin Phosphonate for Blue OLED Emitter Applications.

A blue-light emitting material based on a boron complex containing heteroaromatic phosphonate ligand is synthesized and characterized. The Phospho-Fries rearrangement is used in the synthesis route of the ligand as a convenient method of introducing phosphonate groups into phenols. Structural, thermal and photophysical properties of the resulting oxazaborinin phosphonate compound have been characterized. DFT geometry optimizations were studied as well as the spatial position and symmetry of the HOMO and LUMO. Good thermal stability up to 250 °C enables vacuum deposition methods next to solution processing. Combining the work function with the optical band gap from UV-Vis measurements shows that band alignment is possible with standard contact materials. Photoluminescence reveals an emission peak at 428 nm, which is suitable for a blue light-emitter.

Enhanced photon management in silicon thin film solar cells with different front and back interface texture.

Light trapping and photon management of silicon thin film solar cells can be improved by a separate optimization of the front and back contact textures. A separate optimization of the front and back contact textures is investigated by optical simulations taking realistic device geometries into consideration. The optical simulations are confirmed by experimentally realized 1 µm thick microcrystalline silicon solar cells. The different front and back contact textures lead to an enhancement of the short circuit current by 1.2 mA/cm(2) resulting in a total short circuit current of 23.65 mA/cm(2) and an energy conversion efficiency of 8.35%.

Analyzing periodic and random textured silicon thin film solar cells by Rigorous Coupled Wave Analysis.

A simple and fast method was developed to determine the quantum efficiency and short circuit current of thin-film silicon solar cells prepared on periodically or randomly textured surfaces. The optics was studied for microcrystalline thin-film silicon solar cells with integrated periodic and random surface textures. Rigorous Coupled Wave Analysis (RCWA) was used to investigate the behaviour of the solar cells. The analysis of the periodic and random textured substrates allows for deriving optimal surface textures. Furthermore, light trapping in periodic and randomly textured substrates will be compared.

Zinc oxide nanowire arrays for silicon core/shell solar cells.

The optics of core / shell nanowire solar cells was investigated. The optical wave propagation was studied by finite difference time domain simulations using realistic interface morphologies. The interface morphologies were determined by a 3D surface coverage algorithm, which provides a realistic film formation of amorphous silicon films on zinc oxide nanowire arrays. The influence of the nanowire dimensions on the interface morphology and light trapping was investigated and optimal dimensions of the zinc oxide nanowire were derived.

Light trapping in periodically textured amorphous silicon thin film solar cells using realistic interface morphologies.

The influence of realistic interface morphologies on light trapping in amorphous silicon thin-film solar cells with periodic surface textures is studied. Realistic interface morphologies are obtained by a 3D surface coverage algorithm using the substrate morphology and layer thicknesses as input parameters. Finite difference time domain optical simulations are used to determine the absorption in the individual layers of the thin-film solar cell. The influence of realistic interface morphologies on light trapping is determined by using solar cells structures with the same front and back contact morphologies as a reference. Finally the optimal surface textures are derived.

Predicting the interface morphologies of silicon films on arbitrary substrates: application in solar cells.

A three-dimensional model that predicts the interface morphologies of silicon thin-film solar cells prepared on randomly textured substrates was developed and compared to experimental data. The surface morphologies of silicon solar cells were calculated by using atomic force microscope scans of the textured substrates and the film thickness as input data. Calculated surface morphologies of silicon solar cells are in good agreement with experimentally measured morphologies. A detailed description of the solar cell interface morphologies is necessary to understand light-trapping in silicon single junction and micromorph tandem thin-film solar cells and derive optimal light-trapping structures.

Plasmonic effects in amorphous silicon thin film solar cells with metal back contacts.

Plasmonic effects in amorphous silicon thin film solar cells with randomly textured metal back contact were investigated experimentally and numerically. The influence of different metal back contacts with and without ZnO interlayer was studied and losses in the individual layers of the solar cell were quantified. The amorphous silicon thin film solar cells were prepared on randomly textured substrates using large area production equipment and exhibit conversion efficiencies approaching 10%. The optical wave propagation within the solar cells was studied by Finite Difference Time Domain simulations. The quantum efficiency of solar cells with and without ZnO interlayer was simulated and the interplay between the reflection, quantum efficiency and absorption in the back contact will be discussed.

Transparent Fourier transform spectrometer.

We realized a transparent Fourier transform spectrometer and investigated its operating principle. The spectrometer consists of a low-reflectivity Fabry-Perot interferometer and a partially transparent photodetector, which allows for the operation of the spectrometer in transmission. By changing the distance between the low-reflectivity mirrors of the Fabry-Perot interferometer, the light intensity that reaches the partially transparent photodetector is modulated and the spectral information of the incident light is determined by the Fourier transform of the generated photocurrent. This transparent Fourier transform spectrometer allows easy miniaturization and integration into any kind of optical system.

Standing wave spectrometer.

A standing wave Fourier transform spectrometer is realized. The spectrometer consists of an ultra thin and partially transparent photodetector and a tunable mirror. The incident light forms a standing wave in front of the mirror, which is sampled by the ultra thin optical detector. The thickness of the photodetector is significantly smaller than the wavelength of the incident light. The spectral information of the incident light is determined by the Fourier transform of the detector signal. The linear arrangement of the optical detector and the mirror enables the realization of spectrometer arrays and optical cameras with high spectral resolution. For the first time a complete optical model of the standing wave spectrometer is presented and compared with experimental results. The influence of the design of the optical detector on the performance of the spectrometer is discussed.