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WOS: 000524014100001, In this study, azobenzene and coumarin functionalized thiophene comprising two copolymers (poly (4-((3"'-hexyl-[2,2 ':5 ',2 '':5 '',2"'-tetrathiophene] - 3 '-yl)methoxy) - 2H-chromen-2-one (P1) and poly (1-(4-((4"'-hexyl-[2,2 ': 5 ', 2 '': 5 '', 2"' - tetrathiophene] - 3 '-yl) methoxy) phenyl) -2-phenyldiazene) (P2)), were designed and synthesized according to the donor-acceptor (D-A) approach to investigate their electrochemical, optical and photovoltaic behaviors. Among the various copolymerization methods to obtain P1 and P2, Stille copolymerization reaction was preferred. The HOMO and LUMO values were determined via cyclic voltammetry (CV) as -5.64 eV and -3.76 eV for P1 and -5.47 eV and -3.83 eV for P2, respectively. The optical band gaps of the polymers were calculated as 1.88 eV and 1.64 eV using UV-VIS spectrophotometer for P1 and P2. Electrochemical and spectroelectrochemical studies for synthesized copolymers support their usage in organic solar cell applications. The organic solar cells (OSCs) were designed using polymer as an electron donor group and PC60BM as an electron acceptor group. Performances of OSCs based on P1 and P2 were investigated with the device structure of ITO/PEDOT:PSS/Polymer(P1/P2):PC60BM/LiF/Al. The preliminary solar cell results were reported here and studies are going on in our laboratories to increase the efficiency. The highest power conversion efficiency was obtained as 0.81% for P1 based device with 0.47 V open-circuit voltage (V-oc) and 4.92 mA/cm(2) current density (J(sc)) values. The highest efficiency for P2 comprising device was found to be 0.96% under optimum conditions with 0.60 V and 4.98 mA/cm(2), V-oc and J(sc) values, respectively.

The photoluminescence (PL) decay of hybrid halide perovskite single crystals (MAPbX(3), MA = CH3NH3+, Pb = Pb2+, X = Br-, and I-) is measured over 4 orders of magnitude in intensity over the time scales of 100s of nanoseconds to a few microseconds. This long PL decay is non-exponential, suggesting the presence of a distribution of carrier relaxation times. Spectro-temporal studies show that the emission peak red-shifts with increasing time. The physics of this problem is closely related to donor-acceptor pair recombination in crystalline semiconductors and recombination in a-Si:H. Based on these models, we present a simple model to account for the recombination dynamics in the perovskite systems. This model also accounts for the fluence dependence of the recombination kinetics. In this model, a fraction of the photogenerated electrons and holes are trapped in localized states. The electrons tunnel to the hole sites for recombination. The broad distribution of lifetimes is a consequence of the fact that the tunneling probability is very sensitive to the separation of electron-hole pairs, and PL decay dynamics is a function of excitation fluence, i.e., carrier density generated by optical excitation. The red-shift arises from the fact that holes and electrons are trapped at different energies.

Polycrystalline copper sulphide (CuxS) thin films were grown by ultrasonic spray pyrolysis method using aqueous solutions of copper chloride and thiourea without any complexing agent at various substrate temperatures of 240, 280, and 320 degrees C. The films were characterized for their structural, optical, and electrical properties by X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive analysis of X-rays (EDAX), atomic force microscopy (AFM), contact angle (CA), optical absorption, and current-voltage (I-V) measurements. The XRD analysis showed that the films had single or mixed phase polycrystalline nature with a hexagonal covellite and cubic digenite structure. The crystalline phase of the films changed depending on the substrate temperature. The optical band gaps (E-g) of thin films were 2.07 eV (CuS), 2.50 eV (Cu1.765S), and 2.28 eV (Cu1.765S-Cu2S). AFM results indicated that the films had spherical nanosized particles well adhered to the substrate. Contact angle measurements showed that the thin films had hydrophobic nature. Hall effect measurements of all the deposited CuxS thin films demonstrated them to be of p-type conductivity, and the current-voltage (I-V) dark curves exhibited linear variation. Uludag UniversityUludag University [OUAP(F)-2013/11]; Uludag UniversityUludag University This work was supported by the Research Fund of Uludag University Project no. OUAP(F)-2013/11. The authors would like to thank Uludag University for financial support. The authors wish to thank Assoc. Professor Dr. Salih Kose of Osmangazi University (Turkey) for allowing the use of ultrasonic chemical spray pyrolysis system in semiconductor film production laboratory.

We report on the effects of the film morphology on the fluorescence spectra for a thin film including a quinoxaline-based co-polymer (TQ1) and a fullerene derivative ([6,6]-phenyl-C71-butyric acid methyl ester—PC70BM). The ratio between the polymer and the fullerene derivative, as well as the processing solvent, were varied. Besides the main emission peak at 700 nm in the fluorescence spectra of thin films of this phase-separated blend, a broad emission band is observed with a maximum at 520⁻550 nm. The intensity of this emission band decreases with an increasing degree of mixing in the film and becomes most prominent in thicker films, films with high PC70BM content, and films that were spin-coated from solvents with lower PC70BM solubility. We assign this emission band to aggregated PC70BM.

We review laser applications in thin-film photovoltaics (thin-film Si, CdTe, and Cu(In,Ga)Se2 solar cells). Lasers are applied in this growing field to manufacture modules, to monitor Si deposition processes, and to characterize opto-electrical properties of thin films. Unlike traditional panels based on crystalline silicon wafers, the individual cells of a thin-film photovoltaic module can be serially interconnected by laser scribing during fabrication. Laser scribing applications are described in detail, while other laser-based fabrication processes, such as laser-induced crystallization and pulsed laser deposition, are briefly reviewed. Lasers are also integrated into various diagnostic tools to analyze the composition of chemical vapors during deposition of Si thin films. Silane (SiH4), silane radicals (SiH3, SiH2, SiH, Si), and Si nanoparticles have all been monitored inside chemical vapor deposition systems. Finally, we review various thin-film characterization methods, in which lasers are implemented.

International audience; Hybrid organometal halide perovskites have been demonstrated to have outstanding performance as semiconductors for solar energy conversion. Further improvement of the efficiency and stability of these devices requires a deeper understanding of their intrinsic photophysical properties. Here, the structural and optical properties of high-quality single crystals of CH3NH3PbI3 from room temperature to 5 K are investigated. X-ray diffraction reveals an extremely sharp transition at 163 K from a twinned tetragonal I4/mcm phase to a low-temperature phase characterized by complex twinning and possible frozen disorder. Above the transition temperature, the photoluminescence is in agreement with a band-edge transition, explaining the outstanding performances of the solar cells. Whereas below the transition temperature, three different excitonic features arise, one of which is attributed to a free-exciton and the other two to bound excitons (BEs). The BEs are characterized by a decay dynamics of about 5 μs and by a saturation phenomenon at high power excitation. The long lifetime and the saturation effect make us attribute these low temperature features to bound triplet excitons. This results in a description of the room temperature recombination as being due to spontaneous band-to-band radiative transitions, whereas a diffusion-limited behavior is expected for the low-temperature range.

Organic-inorganic halide perovskites present a number of challenges for first-principles atomistic materials modeling. Such “plastic crystals” feature dynamic processes across multiple length and time scales. These include the following: (i) transport of slow ions and fast electrons; (ii) highly anharmonic lattice dynamics with short phonon lifetimes; (iii) local symmetry breaking of the average crystallographic space group; (iv) strong relativistic (spin-orbit coupling) effects on the electronic band structure; and (v) thermodynamic metastability and rapid chemical breakdown. These issues, which affect the operation of solar cells, are outlined in this perspective. We also discuss general guidelines for performing quantitative and predictive simulations of these materials, which are relevant to metal-organic frameworks and other hybrid semiconducting, dielectric and ferroelectric compounds.

Recently, there has been an explosive growth in research based on hybrid lead–halide perovskites for photovoltaics owing to rapid improvements in efficiency. The advent of these materials for solar applications has led to widespread interest in understanding the key enabling properties of these materials. This has resulted in renewed interest in related compounds and a search for materials that may replicate the defect-tolerant properties and long lifetimes of the hybrid lead-halide perovskites. Given the rapid pace of development of the field, the rises in efficiencies of these systems have outpaced the more basic understanding of these materials. Measuring or calculating the basic properties, such as crystal/electronic structure and composition, can be challenging because some of these materials have anisotropic structures, and/or are composed of both heavy metal cations and volatile, mobile, light elements. Some consequences are beam damage during characterization, composition change under vacuum, or compound effects, such as the alteration of the electronic structure through the influence of the substrate. These effects make it challenging to understand the basic properties integral to optoelectronic operation. Compounding these difficulties is the rapid pace with which the field progresses. This has created an ongoing need to continually evaluate best practices with respect to characterization and calculations, as well as to identify inconsistencies in reported values to determine if those inconsistencies are rooted in characterization methodology or materials synthesis. This article describes the difficulties in characterizing hybrid lead–halide perovskites and new materials and how these challenges may be overcome. The topic was discussed at a seminar at the 2015 Materials Research Society Fall Meeting & Exhibit. This article highlights the lessons learned from the seminar and the insights of some of the attendees, with reference to both recent literature and controlled experiments to illustrate the challenges discussed. The focus in this article is on crystallography, composition measurements, photoemission spectroscopy, and calculations on perovskites and new, related absorbers. We suggest how the reporting of the important artifacts could be streamlined between groups to ensure reproducibility as the field progresses.

We use a layered solution crystal growth method to synthesize high-quality single crystals of two different benzylammonium lead iodide perovskite-like organic/inorganic hybrids. The well-known (C6H5CH2NH3)2PbI4 phase is obtained in the form of bright orange platelets, with a structure comprised of single ⟨100⟩-terminated sheets of corner-sharing PbI6 octahedra separated by bilayers of the organic cations. The presence of water during synthesis leads to formation of a novel minority phase that crystallizes in the form of nearly transparent, light yellow bar-shaped crystals. This phase adopts the monoclinic space group P21/n and incorporates water molecules, with structural formula (C6H5CH2NH3)4Pb5I14·2H2O. The crystal structure consists of ribbons of edge-sharing PbI6 octahedra separated by the organic cations. Density functional theory calculations including spin–orbit coupling show that these edge-sharing PbI6 octahedra cause the band gap to increase with respect to corner-sharing PbI6 octahedra in (C6H5CH2NH3)2PbI4. To gain systematic insight, we model the effect of the connectivity of PbI6 octahedra on the band gap in idealized lead iodide perovskite-derived compounds. We find that increasing the connectivity from corner-, via edge-, to face-sharing causes a significant increase in the band gap. This provides a new mechanism to tailor the optical properties in organic/inorganic hybrid compounds., We synthesized two different benzylammonium lead iodide phases. By analyzing their crystal structures, we provide a design rule for tuning the optical properties of hybrids based on the connectivity of the metal-halide octahedra. We show that the band gap strongly depends on not only the dimensionality of the inorganic network but also on the number of iodides shared between two adjacent lead ions, resulting in corner-, edge-, and face-sharing PbI6 octahedra.

WOS: 000405291400023, A new metamaterial absorber (MA) is investigated and shown numerically for solar energy harvesting for future solar cell applications. The structure consists of two metals and one dielectric layer having different thicknesses. Owing to this combination, the structure exhibits plasmonic resonance characteristics. In the entire spectrum of visible frequency region, the obtained results show that investigated structure has perfect absorptivity which is above 91.8%. Proposed structure also has 99.87% absorption at 613.94 THz and 99% absorption between 548 and 669 THz. The proposed structure also shows both polarization and angle independency for the entire visible region. The MA based solar cell proposes high absorption with an upper ratio of 90% in the widest range of visible spectrum comparing to the studies in literature. Hence, the proposed metamaterial absorber solar cells can be used for invisibility in entire spectrum of visible light. The absorption characteristics of the solar absorber are also investigated for infrared and ultraviolet region. The enhancement of absorption of the structure will provide new type of sensors in these frequency ranges.

WOS: 000401386400001, A novel broad-band polarization-independent with wide-angle metamaterial absorber(MA) is investigated and demonstrated for solar energy harvesting applications. The proposed MA is composed of two metal layers which have different thickness and a dielectric layer which is sandwiched between these metal layers. By this combination, the proposed MA indicates plasmonic resonance characteristic. Numeric results show that proposed MA has perfect absorption characteristic which is above 88.28% with wide-angle for all visible region. It shows almost perfect absorption of 98.4% at the resonance frequency of 621.76 THz and has also 90% absorption between frequencies of 445 THz and 770 THz which is nearly all visible light region. Besides, numerical results validate that the proposed MA could achieve very high absorption at wide-angles of incidence for both transverse electric (TE) and transverse magnetic (TM) waves.. The proposed MA and its variations enable for solar cell applications due to have upper ratio of 90% in the widest range of visible spectrum comparing to the studies in literature. In order to show additional features of the proposed structure, parametric studies are realized and discussed. Furthermore, the absorption characteristic of proposed MA is investigated for infrared and ultraviolet region. The enhancement of absorption of the structure will provide new type of sensors in these frequency ranges.

The rapid progress of bulk heterojunction organic photovoltaics has been boosted by (i) design and synthesis of novel conjugated donor materials, (ii) control and optimization of device fabrication, and (iii)the development of new device architectures such as tandem and ternary solar cells. Computationally driven material design has attracted increasing interest to accelerate the search for optimal conjugated photovoltaic materials, and the exploration of chemical methodologies is highly desirable in pushing the efficiency further towards the theoretical limit. Based on the motif of donor–acceptor polymers, around50 comparable polymers were constructed and investigated, derived from an easily accessible thiophene–quinoxaline alternating polymer donor showing power conversion efficiency up to 7%. We performed a systematic density functional theory (DFT) study on the heteroatom effects of combining fluorine, nitrogen and chalcogen substitutions onto the donor/acceptor units as well as the effect of extending p-conjugation in the donor moiety, in order to gain insight into how structural modifications to the conjugated backbone can affect the molecular structure and electronic properties of a conjugated polymer. It is found that the trends in the energy levels and band gaps of these polymers correlate well with their structural modifications. Finally, by examining the systematically evaluated data in the energy diagram, we proposed three important ways of energy level modulation, showing potential chemical methodologies that can be applicable to further modify and optimize existing polymer backbones. Especially such energy level modulation can be applied to meet the particular requirements of different device architectures (including tandem and ternary solar cells) on the donor components,such as a prominent photocurrent or photo voltage combined with a high efficiency, to further maximize the overall performance of organic photo voltaics. This will provide valuable guidance and chemical methodologies for a judicious material design of conjugated polymers for solar cell applications with desirable photo voltaic characteristics. Refereed/Peer-reviewed

This work discusses regular particle arrays as nanostructured front layers for possible application in photovoltaic devices yielding strongly increased forward scattering. I used a rigorous plane-wave method to investigate multi-type particle layers combining different radii and configurations. The absorbance was enhanced compared to the bare Si wafer and I demonstrated on mixing particles a broadband boost in the absorbance within the homogeneous wafer region, excluding parasitic absorption in the particle layer. I studied the efficiency enhancement for varying geometries. Multi-type layers made of Si disks with two different radii achieved up to 33% (24%) and with four different radii up to 40% (30%) improvement in the short circuit current and integrated absorbance, respectively, without yet standard anti-reflection coatings. Broadband efficiency enhancement for metal multi-type layers was not observed because they show strong parasitic absorption and boost the absorbance only in narrow wavelength regions. (C) 2016 Optical Society of America

High carrier mobility is often invoked to justify the exceptionally long diffusion length in CH3NH3PbI3 perovskites. Using a combination of an ab initio band structure and scattering models, we present clear evidence that large electrical and Hall mobilities are crucially related to the low scattering rate of carriers with polar optical phonons, which represents the dominant mobility-limiting mechanism at room temperature. With a charge-injection regime at room temperature, we obtained carrier relaxation times (tau(rel)) of similar to 10 fs, which are typical of polar inorganic semiconductors, and electrical mobilities (mu) as high as similar to 60 cm(2) V-1 s(-1) and 40 cm(2) V-1 s(-1) for electrons and holes, respectively, which were robustly independent on the injected carrier density in the range of n similar to 10(14) cm(-3) to 10(20) cm(-3). In the absence of a significant concentration of trapping centers, these mobilities foster diffusion lengths of similar to 10 mu m for the low injection density regime (n similar to 10(15) cm(-3)), which are in agreement with recent measurements for highly pure single-crystal perovskites.

The photophysical properties of blends of fluorene copolymer and the fullerene derivative PCBM are analyzed with a particular attention to photovoltaic applications. The properties of the blends are determined by the relative alignment of the HOMO energy levels. In the blend where the HOMO levels of the copolymer and the fullerene are aligned there is not signature of charge stabilization and photovoltaic effect. While in the blend where there is an offset between the HOMO levels the charge stabilization is accompanied by good photovoltaic performances. The photoluminescence spectrum of the latter blend is characterized by the appearance of a new peak at low energy with a lifetime of a few ns that red-shifts with the increase of the PCBM percentage. The feature is attributed to the emission from a charge-transfer exciton that is red-shifted by the change of dielectric constant of the medium.

We report on ground and excited state charge transfer in charge-transfer complexes in films formed between a semiconducting polymer, MEH-PPV (poly[2-methoxy-5-(2'-ethylhexyloxy)-1,4-phenylenevinylene]), and a series of fluorene electron acceptors. The latter were designed to vary systematically the electron affinity (EA) over 1.5 eV by attachment of various electron withdrawing groups to the fluorene core. The EAs of the acceptors are determined by cyclic voltammetry and compared with those from density functional theory calculations. The charge-transfer dynamics are studied using an ultrafast visible-pumpIR-probe photoinduced absorption technique. We demonstrate that the acceptor EA is the keybut not the onlyparameter that governs charge recombination rates that scale exponentially with the acceptor EA. From the time-resolved data we deduced a model that describes charge dynamics for acceptors with low and high EAs. The two opposite trendshigher acceptor EA increases the driving force for charge separation but also inevitably increases the rate of undesirable charge recombinationshould be carefully counterbalanced in designing novel polymerfullerene bulk heterojunctions.

We report the synthesis, electrochemical and photovoltaic properties of triphenylamine based novel organic sensitizer, comprising donor, electron-conducting and anchoring group. Different triphenylamines were synthesized as donor unit and connected to cyano-acidic acid acceptor over vinyl group. In this work, we studied on two novel dyes (TPA2, TPA3) by attaching methyl to m-position and diphenylamine to p-position of the basic triphenylamine structure, respectively. All derivatives absorb at visible region of solar spectrum in the range of 350-632 nm. By introducing strong electron injection groups to triphenylamine ring, band gap becomes narrower while E-HOMO-E-LUMO levels are tuned. All current voltage (I-V) measurements were done under 100 mW/cm(2) light intensity and AM 1.5 conditions. TPA3 chromophore with the lowest band gap shows the best cell performance with an efficiency (eta) of 4.12%, a short-circuit photocurrent density (I-sc) of 8.07 mA/cm(2), an open-circuit voltage (V-oc) of 714 mV and a fill factor (FF) of 0.72. (c) 2009 Elsevier B.V. All rights reserved.

Date of Conference: 30 July-4 August 2006 Conference Name: International Conference on Superlattices, Nano-Structures and Nano-Devices, ICSNN 2006 Embedded semiconductor nanocrystals (NCs) within wide bandgap oxide materials are being considered for light emission and solar cell applications. One of the fundamental issues is the high-field transport in NCs. This requires the combination of a number of tools: ensemble Monte Carlo carrier transport simulation, ab initio band structure of the bulk oxide, Fermi's golden rule modeling of impact ionization and Auger processes and the pseudopotential-based atomistic description of the confined NC states. These elements are outlined in this brief report.

We report in-situ simultaneous monitoring of molecular vibrations of two components in organic photovoltaic blends using resonant Raman spectroscopy. Blend films were composed of a low bandgap copolymer thieno[3,2-b]thiophene-diketopyrrolopyrrole (DPPTTT) and (6,6)-phenyl-C71-butyric acid ester (PC 70BM). Changes in Raman spectra associated with crystallization processes of each component and their impact on thin film morphology were studied during thermal annealing and cooling processes. Transition temperatures to crystalline phases in blends were measured at ∼150 °C and ∼170 °C for DPPTTT and PC 70BM, respectively. Such phase changes lead to modifications in local chemical composition reducing relative Raman peak intensities (IPC70BM/IDPPTTT) from ∼0.4 in PC 70BM-rich domains to ∼0.15 in homogeneous areas.