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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Organic Dye Graphene Hybrid Structures with Spectral Color Selectivity

This study characterizes a hybrid structure formed between graphene and organic dye molecules for use in photodetectors with spectral color selectivity. Rhodamine‐based organic dye molecules with red, green, or blue light absorption profiles are deposited onto a graphene surface by dip‐coating. UV–vis absorption spectroscopy, charge transport measurements, and density functional theory based calculations reveal that the photoresponses of the dye graphene hybrid films are governed by the light absorption of the dye molecules and also by the photo‐excited‐charge‐transfer‐induced photocurrent gain. The hybrid films respond only to photons with an energy exceeding the band gap of the immobilized dye. Dye‐Graphene charge transfer is affected by the distance and direction of the dipole moment between the two layers. The resulting hybrid films exhibit spectral color selectivities with responsivities of ≈10 3 A W −1 and specific detectivities of ≈10 10 Jones. This study demonstrates the successful operation of photodetectors with a full‐color optical bandwidth using hybrid graphene structures coated with a mixture of dyes. The strategy of building a simple hybrid photodetector can further offer many opportunities to be also tuned for other optical functionalities using a variety of commercially available dye molecules.

Gim, Yu Seong↗
DOE OSTI2014

Predicting Solar-Cell Dyes for Cosensitization

A major limitation of using organic dyes for dye-sensitized solar cells (DSCs) has been their lack of broad optical absorption. Co-sensitization, in which two complementary dyes are incorporated into a DSC, offers a route to combat this problem. Here we construct and implement a design route for materials discovery of new dyes for co-sensitization, beginning with a chemically compatible series of existing laser dyes which are without an anchor group necessary for DSC use. We determine the crystal structures for this dye series, and use their geometries to establish the DSC molecular design prerequisites aided by density-functional theory and time-dependent density-functional theory calculations. Based on insights gained from these existing dyes, modified sensitizers are computationally designed to include a suitable anchor group. A DSC co-sensitization strategy for these modified sensitizers is predicted, using the central features of highest-occupied, and lowest-unoccupied molecular orbital positioning, optical absorption properties, intramolecular charge-transfer characteristics, and steric effects as selection criteria. Through this molecular engineering of a series of existing non-DSC dyes, we predict new materials for DSC co-sensitization.

14 SOLAR ENERGY↗
NASA NTRS1981

Absolute tracer dye concentration using airborne laser-induced water Raman backscatter

The use of simultaneous airborne-laser-induced dye fluorescence and water Raman backscatter to measure the absolute concentration of an ocean-dispersed tracer dye is discussed. Theoretical considerations of the calculation of dye concentration by the numerical comparison of airborne laser-induced fluorescence spectra with laboratory spectra for known dye concentrations using the 3400/cm OH-stretch water Raman scatter as a calibration signal are presented which show that minimum errors are obtained and no data concerning water mass transmission properties are required when the laser wavelength is chosen to yield a Raman signal near the dye emission band. Results of field experiments conducted with an airborne conical scan lidar over a site in New York Bight into which rhodamine dye had been injected in a study of oil spill dispersion are then indicated which resulted in a contour map of dye concentrations, with a minimum detectable dye concentration of approximately 2 ppb by weight.

Hoge, F. E.↗
DOE OSTI2014

Continuous-wave organic dye lasers and methods

An organic dye laser produces a continuous-wave (cw) output without any moving parts (e.g., without using flowing dye streams or spinning discs of solid-state dye media to prevent photobleaching) and with a pump beam that is stationary with respect to the organic dye medium. The laser's resonant cavity, organic dye medium, and pump beam are configured to excite a lasing transition over a time scale longer than the associated decay lifetimes in the organic dye medium without photobleaching the organic dye medium. Because the organic dye medium does not photobleach when operating in this manner, it may be pumped continuously so as to emit a cw output beam. In some examples, operation in this manner lowers the lasing threshold (e.g., to only a few Watts per square centimeter), thereby facilitating electrical pumping for cw operation.

47 OTHER INSTRUMENTATION↗
DOE OSTI2019

Dye Encapsulation in Fluorescent Core–Shell Silica Nanoparticles as Probed by Fluorescence Correlation Spectroscopy

Synthetic advances in the formation of ultrasmall (<10 nm) fluorescent poly(ethylene glycol)-coated (PEGylated) core–shell silica nanoparticles (SNPs), enabling improved particle size and surface chemical property control, have led to successful clinical translation of SNPs as diagnostic probes in oncology. Despite the success of such probes, details of the dye incorporation and resulting silica architecture are still poorly understood. Here, we employ afterpulse-corrected fluorescence correlation spectroscopy (FCS) to monitor fast fluorescence fluctuations (lag times <10 –5 s) of the negatively charged cyanine dye Cy5 as a probe to study such details for dye encapsulation in 5 nm silica cores of PEGylated core–shell SNPs (C dots). Upon deposition of additional silica shells over the silica core, we find that the amplitude of photoinduced cis–trans isomerization decreases, suggesting that the Cy5 dyes are located near or on the surface of the original SNP cores. In combination with time-correlated fluorescence decay measurements, we deduce radiative and nonradiative rates of the Cy5 dye in these particles. Finally, results demonstrate that FCS is a well-suited tool to investigate aspects of the photophysics of fluorescent nanoparticles, and that conformational changes of cyanine dyes like Cy5 are excellent indicators for the local dye environment within ultrasmall SNPs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Site-specific photo-crosslinking in a double crossover DNA tile facilitated by squaraine dye aggregates: advancing thermally stable and uniform DNA nanostructures

We investigated the role of dichloro-squaraine (SQ) dye aggregates in facilitating thymine–thymine interstrand photo-crosslinking within double crossover (DX) tiles, to develop thermally stable and structurally uniform two-dimensional (2D) DNA-based nanostructures. By strategically incorporating SQ modified thymine pairs, we enabled site-selective [2 + 2] photocycloaddition under 310 nm UV light. Strong dye–dye interactions, particularly through the formation of aggregates, facilitated covalent bond formation between proximal thymines. To evaluate the impact of dye aggregation on crosslinking efficiency, ten DX tile variants with varying SQ-modified thymine positions were tested. Our results demonstrated that SQ dye aggregates significantly enhanced crosslinking, driven by precise SQ-modified thymine dimer placement within the DNA tiles. Analytical techniques, including denaturing PAGE and UV-visible spectroscopy, validated successful crosslinking in DNA tiles with multiple SQ-modified thymine pairs. This non-phototoxic method offers a potential route for creating thermally stable, homogeneous higher-order DNA–dye assemblies with potential applications in photoactive and exciton-based fields such as optoelectronics, nanoscale computing, and quantum computing. Furthermore, the insights from this study establish a foundation for further exploration of advanced DNA–dye systems, enabling the design of next-generation DNA nanostructures with enhanced functional properties.

2D DNA template↗
DOE OSTI2014

Novel method for evaluation of natural dyes in DSSC

Dye sensitized Solar Cell (DSSC) is presently centered on Ruthenium based dyes. Recent research is diverted to explore the potential of natural dyes in replacing the conventional dyes. In this work we have chosen few natural dyes, which when coated on TiO{sub 2} leads to increase in absorption capacity of TiO{sub 2}. Co-relation of absorption and electrochemical properties of natural dyes gives a scientific insight of the probable performance of a dye, even without fabricating a cell. We have tried to compare this predictions based on HOMO-LUMO energy levels with the real cell performance. Measurements of cell parameters suggest that there is scope for further research in this area.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2016

Mesoporous multi-shelled ZnO microspheres for the scattering layer of dye sensitized solar cell with a high efficiency

Both light scattering and dye adsorbing are important for the power conversion efficiency PCE performance of dye sensitized solar cell (DSSC). Nanostructured scattering layers with a large specific surface area are regarded as an efficient way to improve the PCE by increasing dye adsorbing, but excess adsorbed dye will hinder light scattering and light penetration. Thus, how to balance the dye adsorbing and light penetration is a key problem to improve the PCE performance. Here, multiple-shelled ZnO microspheres with a mesoporous surface are fabricated by a hydrothermal method and are used as scattering layers on the TiO{sub 2} photoanode of the DSSC in the presence of N719 dye and iodine–based electrolyte, and the results reveal that the DSSCs based on triple shelled ZnO microsphere with a mesoporous surface exhibit an enhanced PCE of 7.66%, which is 13.0% higher than those without the scattering layers (6.78%), indicating that multiple-shelled microspheres with a mesoporous surface can ensure enough light scattering between the shells, and a favorable concentration of the adsorbed dye can improve the light penetration. These results may provide a promising pathway to obtain the high efficient DSSCs.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Improvement of the electrochromic response of a low-temperature sintered dye-modified porous electrode using low-resistivity indium tin oxide nanoparticles

An indium tin oxide (ITO) nanoparticle-based porous electrode sintered at low temperatures was investigated as a transparent electrode for electrochromic displays (ECDs). The electrochromic (EC) response of the dye-modified ITO porous electrode sintered at 150 °C, which exhibited a generally low resistivity, was markedly superior to that of a conventional dye-modified TiO{sub 2} porous electrode sintered at the same temperature. Moreover, the EC characteristics of the dye-modified ITO porous electrode sintered at 150 °C were better than those of the high-temperature (450 °C) sintered conventional dye-modified TiO{sub 2} porous electrode. These improvements in the EC characteristics of the dye-modified ITO porous electrode are attributed to its lower resistivity than that of the TiO{sub 2} porous electrodes. In addition to its sufficiently low resistivity attained under the sintering conditions required for flexible ECD applications, the ITO porous film had superior visible-light transparency and dye adsorption capabilities. We conclude that the process temperature, resistivity, optical transmittance, and dye adsorption capability of the ITO porous electrode make it a promising transparent porous electrode for flexible ECD applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Engendering Long-Term Air and Light Stability of a TiO2-Supported Porphyrinic Dye via Atomic Layer Deposition

Organic and porphyrin-based chromophores are prevalent in liquid-junction photovoltaic and photocatalytic solar-cell chemistry; however, their long-term air and light instability may limit their practicality in real world technologies. Here, we describe the protection of a zinc porphyrin dye, adsorbed on nanoparticulate TiO2, from air and light degradation by a protective coating of alumina grown with a previously developed post-treatment atomic layer deposition (ALD) technique. The protective Al2O3 ALD layer is deposited using dimethylaluminum isopropoxide as an Al source; in contrast to the ubiquitous ALD precursor trimethylalurninum, dimethylaluminum isopropoxide does not degrade the zinc porphyrin dye, as confirmed by UV vis measurements. The growth of this protective ALD layer around the dye can be monitored by an in-reactor quartz crystal microbalance (QCM). Furthermore, greater than 80% of porphyrin light absorption is retained over month of exposure to air and light when the protective coating is present, whereas almost complete loss of porphyrin absorption is observed in less than 2 days in the absence of the ALD protective layer. Applying the Al2O3 post-treatment technique to the TiO2-adsorbed dye allows the dye to remain in electronic contact with both the semiconductor surface and a surrounding electrolyte solution, the combination of which makes this technique promising for numerous other electrochemical photovoltaic and photocatalytic applications, especially those involving the dye-sensitized evolution of oxygen.

atomic layer deposition↗
DOE OSTI2017

Experimental and Modeling Studies for the Removal of Crystal Violet Dye from Aqueous Solutions using Eco-friendly Gracilaria corticata Seaweed Activated Carbon/Zn/Alginate Polymeric Composite Beads

This research article describes, an eco-friendly activated carbon prepared from the Gracilaria corticata seaweeds which was employed for the preparation of biodegradable polymeric beads for the efficient removal of crystal violet dye in an aqueous solution. The presence of chemical functional groups in the adsorbent material was detected using FTIR spectroscopy. The morphology and physical phases of the adsorbent materials were analyzed using SEM and XRD studies respectively. Batch mode dye adsorption behavior of the activated carbon/Zn/alginate polymeric beads was investigated as a function of dosage, solution pH, contact time, initial dye concentration and temperature. Maximum dye removal was observed at a pH of 5.0, 1 g of adsorbent dosage with 60 mg/L dye concentration, 50 min of contact time and at 30 °C. The equilibrium modeling studies were analyzed with Freundlich and Langmuir adsorption isotherms and the adsorption dynamics was predicted with Lagergren’s pseudo-first order, pseudo-second order equations and intra particle diffusion models. The process of dye removal followed a pseudo second-order kinetics rather than pseudo first order. The thermodynamic parameters like standard Gibbs free energy change (ΔG°), enthalpy change (ΔH°) and entropy change (ΔS°) were determined and the results imply that the adsorption process was spontaneous, endothermic and increases the randomness between the adsorbent and adsorbate. The results from the experimental and correlation data reveal that the Gracilaria corticata activated carbon/Zn/alginate polymeric beads have proved to be an excellent adsorbent material for the removal of CV dye.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Surface properties and dye loading behavior of Zn{sub 2}SnO{sub 4} nanoparticles hydrothermally synthesized using different mineralizers

We present for the first time the influence of different mineralizers on the isoelectric point (IEP) of zinc stannate (Zn{sub 2}SnO{sub 4}) nanoparticles hydrothermally prepared using three different mineralizers, viz., Na{sub 2}CO{sub 3}, KOH and tert-butyl amine, and the effect of the IEPs on the dye loading behavior of Zn{sub 2}SnO{sub 4} based photoelectrodes in dye sensitized solar cells (DSSCs). To produce highly crystalline, uniform sized Zn{sub 2}SnO{sub 4} nanoparticles, hydrothermal processing parameters, such as reaction temperature, time, and the mineralizers used have been critically adjusted. The structural and morphological features of the as-synthesized Zn{sub 2}SnO{sub 4} nanoparticles have been observed using both scanning and transmission electron microscopy. For the surface state characterization of shape- and size-controlled Zn{sub 2}SnO{sub 4} nanoparticles, the IEPs of Zn{sub 2}SnO{sub 4} surfaces were determined through zeta potential measurements. The IEPs were found to be 5.7, 7.4 and 8.1 for Zn{sub 2}SnO{sub 4} nanoparticles formed using Na{sub 2}CO{sub 3}, KOH and tert-butyl amine, respectively, suggesting that the surface properties of Zn{sub 2}SnO{sub 4} nanoparticles can be manipulated through the choice of the mineralizers used during the hydrothermal reaction. The amount of N719 dye loading on the surfaces of Zn{sub 2}SnO{sub 4} electrodes having different IEPs was also evaluated. It was revealed that the higher the IEP, the higher the dye loading amount, which means that the IEP mainly affects the dye loading at the dye-metal oxide interface. - Highlights: {yields} The effect of various mineralizers on the isoelectric point of Zn{sub 2}SnO{sub 4} was discussed. {yields} The IEP of Zn{sub 2}SnO{sub 4} can be modified by the choice of mineralizer. {yields} Change in IEP affects the surface properties and the morphology of Zn{sub 2}SnO{sub 4} particles. {yields} Modified surface affects the N719 dye loading behaviour of the Zn{sub 2}SnO{sub 4} based DSSCs.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

Multiple dye interactions in plastic scintillators: Effects on pulse shape discrimination

The scintillation process in plastic scintillators has been studied with mixed systems containing high concentrations of multiple fluorescence dyes. It has been shown that the triplet–triplet interaction phenomena leading to the production of delayed light and pulse shape discrimination (PSD) can vary depending on the triplet energies of the interacting dyes. At small differences between the first excited triplet state energies, found to be below 0.1 eV, a pair of interacting dyes of different molecular species can be involved in heterogeneous excitation migration and triplet–triplet annihilation that result in the enhancement of delayed light and PSD, due to the engagement of both dyes in the process. At differences above 0.27 eV, excitation trapping on the lower energy triplet molecules leads to conditions when triplet–triplet migration and annihilation can proceed only homogeneously between molecules of the same species. The results explain the different effects produced by the selection of fluorescent dyes in previously reported PSD systems containing one primary and one secondary dyes. They also demonstrate a non-traditional approach to the design of new plastic scintillators with multiple dyes that, at improved scintillation and PSD performance, may simplify the production process.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Hole Transfer in Dye-Sensitized Cesium Lead Halide Perovskite Photovoltaics: Effect of Interfacial Bonding

Lead halide perovskites have gained attention as an active material in solid-state dye-sensitized photovoltaics due to their high absorption of visible light and long charge-transport lengths. In perovskite-based dye-sensitized photovoltaic architectures the perovskite material is typically paired with a hole-transport material, such as spiro-OMeTAD, which extracts a hole from the photoexcited perovskite to generate free charge carriers. In this study, we explored two competing charge-transfer pathways at the interface between lead halide perovskite and spiro-OMeTAD: “through-bond” and “through-space”. For the through-bond pathway we use a segment of spiro-OMeTAD that contains methoxy linker groups, which will be referred to as “dye with methoxy linker groups” (DML). For the through-space pathway we use a segment of spiro-OMeTAD with removed linker groups, triphenylamine, which will be referred to as “dye”. Four atomistic models were studied: (I) a periodic cesium lead iodide (CsPbI3) perovskite nanowire (NW) that is paired with the dye molecule, (II) a periodic CsPbI3 perovskite NW paired with the DML molecule where the linker groups form coordination bond to the surface of the nanowire, (III) a CsPbI 3 perovskite thin film (TF) paired with the dye molecule, and (IV) a CsPbI 3 perovskite TF paired with the DML molecule. Charge-transfer dynamics, providing rates of electron/hole relaxation and relaxation pathways, are calculated using reduced density matrix formalism using Redfield theory. Finally, it was found that the terminal surface of the perovskite (Pb–I vs Cs–I) has important implications for energetic alignment at the perovskite–dye interface due to band bending. Finally, computed charge-transfer rates match well with upper and lower bounds of reported experimental results where “fast” picosecond rates correspond to through-bond pathway and “slow” nanosecond rates correspond to through-space.

14 SOLAR ENERGY↗
DOE OSTI2016

Tuning the photophysical properties of BODIPY dyes through extended aromatic pyrroles

Three new BODIPY dyes have been synthesized by a two-step synthetic route. Here, this expands the series to nine different BODIPY dyes by this method. Naphtha[1,2-c]pyrrole was combined with 1-pyrenecarboxaldehyde to give a symmetric dipyrrin followed by reaction with boron trifluoride to give a symmetric highly conjugated BODIPY dye. Expanding this synthetic route to a more conjugated pyrrole fluorantho[2,3-c]pyrrole was combined with 1-pyrenecarboxaldehyde followed by reaction with boron trifluoride to give the asymmetric BODIPY dye (9). Dyes with the more highly conjugated fluoranthopyrrole resulted in a bathochromic shift of ca. 50 nm in the electronic absorption and showed greater stability of the LUMO energy, as determined by electrochemical measurements, compared to their naphthapyrrole analogs. All of the dyes synthesized by this method display molar absorptivities greater than 100 000 M -1 cm -1 with photoluminescence quantum efficiencies of 0.8–1.0. Excited state lifetimes of the dyes in dichloromethane are modest, ranging from 3.2 ns to 4.3 ns.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Photocrosslinking Probes Proximity of Thymine Modifiers Tethering Excitonically Coupled Dye Aggregates to DNA Holliday Junction

A DNA Holliday junction (HJ) has been used as a versatile scaffold to create a variety of covalently templated molecular dye aggregates exhibiting strong excitonic coupling. In these dye-DNA constructs, one way to attach dyes to DNA is to tether them via single long linkers to thymine modifiers incorporated in the core of the HJ. Here, using photoinduced [2 + 2] cycloaddition (photocrosslinking) between thymines, we investigated the relative positions of squaraine-labeled thymine modifiers in the core of the HJ, and whether the proximity of thymine modifiers correlated with the excitonic coupling strength in squaraine dimers. Photocrosslinking between squaraine-labeled thymine modifiers was carried out in two distinct types of configurations: adjacent dimer and transverse dimer. The outcomes of the reactions in terms of relative photocrosslinking yields were evaluated by denaturing polyacrylamide electrophoresis. We found that for photocrosslinking to occur at a high yield, a synergetic combination of three parameters was necessary: adjacent dimer configuration, strong attractive dye–dye interactions that led to excitonic coupling, and an A-T neighboring base pair. The insight into the proximity of dye-labeled thymines in adjacent and transverse configurations correlated with the strength of excitonic coupling in the corresponding dimers. To demonstrate a utility of photocrosslinking, we created a squaraine tetramer templated by a doubly crosslinked HJ with increased thermal stability. These findings provide guidance for the design of HJ-templated dye aggregates exhibiting strong excitonic coupling for exciton-based applications such as organic optoelectronics and quantum computing.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS1981

Laboratory measurements of selected optical, physical, chemical, and remote-sensing properties of five water mixtures containing Calvert clay and a nonfluorescing dye

Total suspended solids concentrations ranged from 6.1 ppm to 24.3 ppm and sizes ranged between 1.5 micrometers and 10 micrometers with the most frequently occurring size less than 2 micrometers. Iron concentration was less than 1 percent of the total suspended solids. Nonfluorescing dye concentrations of the two mixtures were 20 ppm and 40 ppm. Attenuation coefficient for the five mixtures ranged from 4.8/m to 21.3/m. Variations in volume scattering function with phase angle were typical. Variations in attenuation and absorption coefficient with wavelength were similar for the mixtures without the dye. Attenuation coefficient of the mixtures with the dye increased for wavelengths less than 600 nm due to the dye's strong absorption peak near 500 nm. Reflectance increased as the concentration of Calvert clay increased and peaked near 600 nm. The nonfluorescent dye decreased the magnitude of the peak, but had practically no effect on the variation for wavelengths greater than 640 nm. At wavelengths less than 600 nm, the spectral variations of the mixtures with the dye were significantly different from those mixtures without the dye.

Usry, J. W.↗
NASA NTRS2009

Measuring the Photocatalytic Breakdown of Crystal Violet Dye using a Light Emitting Diode Approach

A simple method to estimate the photocatalytic reactivity performance of spray-on titanium dioxide coatings for transmissive glass surfaces was developed. This novel technique provides a standardized method to evaluate the efficiency of photocatalytic material systems over a variety of illumination levels. To date, photocatalysis assessments have generally been conducted using mercury black light lamps. Illumination levels for these types of lamps are difficult to vary, consequently limiting their use for assessing material performance under a diverse range of simulated environmental conditions. This new technique uses an ultraviolet (UV) gallium nitride (GaN) light emitting diode (LED) array instead of a traditional black light to initiate and sustain photocatalytic breakdown. This method was tested with a UV-resistant dye (crystal violet) applied to a titanium dioxide coated glass slide. Experimental control is accomplished by applying crystal violet to both titanium dioxide coated slides and uncoated control slides. A slide is illuminated by the UV LED array, at various light levels representative of outdoor and indoor conditions, from the dye side of the slide. To monitor degradation of the dye over time, a temperature-stabilized white light LED, whose emission spectrum overlaps with the dye absorption spectrum, is used to illuminate the opposite side of the slide. Using a spectrometer, the amount of light from the white light LED transmitted through the slide as the dye degrades is monitored as a function of wavelength and time and is subsequently analyzed. In this way, the rate of degradation for photocatalytically coated versus uncoated slide surfaces can be compared. Results demonstrate that the dye absorption decreased much more rapidly on the photocatalytically coated slides than on the control uncoated slides, and that dye degradation is dependent on illumination level. For photocatalytic activity assessment purposes, this experimental configuration and methodology minimizes many external variable effects and enables small changes in absorption to be measured. This research also compares the advantages of this innovative LED light source design over traditional mercury black light systems and non- LED lamp approaches. This novel technology begins to address the growing need for a standard method that can assess the performance of photocatalytic materials before deployment for large scale, real world use.

Ryan, Robert E.↗