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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Polymer dye laser pumped with green semiconductor lasers

We report the results of experiments on quasi-longitudinal pumping of a polymer dye laser by two green ( λ = 513 nm) pulsed laser diodes. The lasing thresholds, efficiency, and photostability of pyrromethenes in various polymers are studied. The efficiency of dye lasers based on pyrromethene 567 and pyrromethene 580 with a three-mirror cavity with partial astigmatism compensation exceeds 20 %. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Observation of precursorlike behavior of femtosecond pulses in a dye with a strong absorption band

Recent interest in Sommerfeld-Brillouin optical precursors has brought attention to the possibility of optical precursor observation in bulk matter. We investigate the possible formation of optical precursors in an organic dye solution with a sharp absorption band and anomalous dispersion at a wavelength of approximately 800 nm. We explore this regime experimentally with sub-10-fs pulses with a central wavelength of approximately 800 nm from a Ti : sapphire oscillator. The pulses are passed through a thin layer of the dye solution and characterized by interferometric autocorrelation. The obtained autocorrelation traces are compared with simulations, and we observe important dispersion effects on the shape of the propagated pulses, including precursorlike behavior in their time evolution.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

Improved Electrodes and Electrolytes for Dye-Based Solar Cells

The most important factor in limiting the stability of dye-sensitized solar cells is the use of volatile liquid solvents in the electrolytes, which causes leakage during extended operation especially at elevated temperatures. This, together with the necessary complex sealing of the cells, seriously hampers the industrial-scale manufacturing and commercialization feasibilities of DSSCs. The objective of this program was to bring about a significant improvement in the performance and longevity of dye-based solar cells leading to commercialization. This had been studied in two ways first through development of low volatility solid, gel or liquid electrolytes, second through design and fabrication of TiO2 sculptured thin film electrodes.

14 SOLAR ENERGY↗
DOE OSTI2017

Transition Metal Polypyridine Complexes: Studies of Mediation in Dye-Sensitized Solar Cells and Charge Separation

The Elliott group has long been supported by DOE for studies of cobalt(II/III) trisbypiridine (DTB) mediator complexes in dye sensitized solar cells. Previous work demonstrated that Co(II/III) chemistry is sensitive to the environment, showing unprecedented electrode-surface and electrolyte dependant voltammetry. In electrolytes that have large lipophilic cations, voltammetry of the [Co(DTB) 3 ] 2+/3+ couple is nearly Nernstian in appearance on nominally oxide-free metal surfaces. In contrast, on semiconductor electrodes in electrolytes with small, hard cations such as Li + , the electron transfer rates are so slow that it is difficult to measure any Faradaic current even at overpotentials of ±1 V. These studies are of direct relevance to the operation of cobalt-based mediators in solar cells. The research has also shown that these mediators are compatible with copper phenantroline based dyes, in contrast to I - due to the insolubility of CuI.

14 SOLAR ENERGY↗
DOE OSTI2024

Utilization of Novel (KNbO 3 ) 1− x (Ba 2 FeNbO 6 ) x ( x = 0.1, 0.2, 0.3) Solid Solutions for Efficient Photo‐Assisted Fenton Degradation of Methylene Blue Dye

Novel (KNbO 3 ) 1− x (Ba 2 FeNbO 6 ) x ( x = 0.1, 0.2, 0.3) solid solutions corresponding to K 0.82 Ba 0.18 Fe 0.09 Nb 0.91 O 3 , K 0.64 Ba 0.36 Fe 0.18 Nb 0.82 O 3 , and K 0.46 Ba 0.54 Fe 0.27 Nb 0.73 O 3 compounds have been synthesized via molten salt method. X‐ray diffraction confirms the formation of solid solutions, while transmission electron microscopy combined with energy‐dispersive spectroscopy results demonstrates a homogeneous distribution of elements. The obtained solid solutions crystallized in a cubic crystal structure, whereas the parent KNbO 3 possesses an orthorhombic structure. The wide bandgap semiconductor KNbO 3 transformed into a visible‐light‐active material, with its bandgap energy reduced from 3.56 eV to ≈2.4 eV. The substitution of K in KNbO 3 with Ba is responsible for structural modification from orthorhombic to cubic symmetry, whereas both structural modification and the substitution of Nb with Fe correlated with optical properties. The photocatalytic activities of all obtained solid solutions are improved compared with the parent KNbO 3 and Ba 2 FeNbO 6 compounds for photocatalytic degradation of methylene blue (MB) dye. Among the series of solid solutions, K 0.82 Ba 0.18 Fe 0.09 Nb 0.91 O 3 photocatalysts show the highest MB removal efficiency owing to its relatively higher surface area, suppressed charge carrier recombination, and more negative conduction band edge. Moreover, K 0.82 Ba 0.18 Fe 0.09 Nb 0.91 O 3 photocatalyst (0.1 g) combined with hydrogen peroxide (H 2 O 2 ) to form a novel photo‐Fenton system, achieving almost complete degradation of 100 mL of 10 mg L −1 MB dye in 30 min.

Avcıoğlu, Celal [Technische Universität Berlin, Fa↗
DOE OSTI2023

Hierarchical Porous Activated Carbon from Wheat Bran Agro-Waste: Applications in Carbon Dioxide Capture, Dye Removal, Oxygen and Hydrogen Evolution Reactions

Here this work reports an efficient method for facile synthesis of hierarchically porous carbon (WB-AC) utilizing wheat bran waste. Obtained carbon showed 2.47 mmol g -1 CO 2 capture capacity with good CO 2 /N 2 selectivity and 27.35 to 29.90 kJ mol -1 isosteric heat of adsorption. Rapid removal of MO dye was observed with a capacity of ~555 mg g -1 . Moreover, WB-AC demonstrated a good OER activity with 0.35 V low overpotential at 5 mA cm -2 and a Tafel slope of 115 mV dec -1 . It also exhibited high electrocatalytic HER activity with 57 mV overpotential at 10 mA cm -2 and a Tafel slope of 82.6 mV dec -1 . The large SSA (757 m 2 g -1 ) and total pore volume (0.3696 cm 3 g -1 ) result from N 2 activation contributing to selective CO 2 uptake, high and rapid dye removal capacity and superior electrochemical activity (OER/HER), suggesting the use of WB-AC as cost effective adsorbent and metal free electrocatalyst.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

3D graphene from CO 2 and K as an excellent counter electrode for dye-sensitized solar cells

3D graphene, which was synthesized directly from CO 2 via its exothermic reaction with liquid K, exhibited excellent performance as a counter electrode for a dye-sensitized solar cell (DSSC). The DSSC has achieved a high power conversion efficiency of 8.25%, which is 10 times larger than that (0.74%) of a DSSC with a counter electrode of the regular graphene synthesized via chemical exfoliation of graphite. The efficiency is even higher than that (7.73%) of a dye-sensitized solar cell with an expensive standard Pt counter electrode. This work provides a novel approach to use a greenhouse gas for DSSCs.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Electronic π-to-π* Excitations of Rhodamine Dyes Exhibit a Time-Dependent Kohn-Sham Theory “Cyanine Problem”

The longest-wavelength π-to-π* electronic excitations of rhodamine-like dyes (RDs) with different group16 heteroatoms (O, S, Se, Te) have been investigated. Time-dependent Kohn–Sham theory (TDKST) calculations were compared with coupled-cluster (CC) and equations-of-motion (EOM) CC results for π-to-π* singlet and triplet excitations. The RDs exhibit characteristics in the TDKST calculations that are very similar to previously investigated cyanine dyes, in the sense that the singlet energies obtained with nonhybrid functionals are too high compared with the CC results at the SD(T) level. The errors became increasingly larger for functionals with increasing amounts of exact exchange. TDKST with all tested functionals led to severe underestimations of the corresponding triplet excitations and overestimations of the singlet--triplet gaps. Long-range-corrected range-separated exchange and "optimal tuning" of the range separation parameter did not significantly improve the TDKST results. A detailed analysis suggests that the problem is differential electron correlation between the ground and excited states, which is not treated sufficiently by the relatively small integrals over the exchange-correlation response kernel that enters the excitation energy expression. As a result, numerical criteria are suggested that may help identify "cyanine-like" problems in TDKST calculations of excitation spectra.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Quasi‐Solid‐State Dye‐Sensitized Solar Cells Containing a Charged Thermoplastic Elastomeric Gel Electrolyte and Hydrophilic/phobic Photosensitizers

As the threat of global climate change due to combustion emissions becomes increasingly alarming, the search for clean and sustainable alternative energy is of paramount importance. With this objective in mind, harnessing solar energy is particularly attractive due to ongoing improvements in silicon‐, perovskite‐, and organic‐based solar cells. Of these, dye‐sensitized solar cells (DSSCs) constitute a promising technology due to their relatively low cost, moderate conversion efficiency, and robust mechanical properties. An important breakthrough in the development of DSSCs is the use of polymer gel electrolytes. In this work, we employ amphi­philic thermoplastic elastomers (TPEs) in the form of sulfonated block ionomer (SBI) homologs for this purpose. Since the midblock of each charged copolymer is hydrophilic, the resultant microphase‐separated nanostructures consist of continuous ionic channels that facilitate electron diffusion. A unique characteristic of the SBI archetype studied here is that the morphology can be solvent‐templated. We exploit this feature by introducing either hydrophilic or hydrophobic photosensitizers into the DSSCs. When the SBI exhibits a primarily lamellar morphology, a hydrophilic dye yields the highest efficiency (7.0%), whereas the opposite is observed when the nanostructure consists of a solvent‐templated nonpolar matrix. Photosensi­tizer tunability is augmented by the intrinsic mechanical and adhesive properties of a TPE.

Al‐Mohsin, Heba A.↗
DOE OSTI2018

Excited State and Non-linear Optical Properties of NIR Absorbing β-Thiophene-Fused BF{sub 2}-Azadipyrromethene Dyes—Computational Investigation

Density functional theory and time-dependent density functional theory computations were used to understand the electronic and photophysical parameters of NIR β-thiophene-fused BF{sub 2}-azadipyrromethene dyes. The computed data are in good agreement with those obtained experimentally and they provide insights into the origin of red shifted optical spectra compared to the parent aza-BODIPY, low Stokes shift, non-linear optical responses and quantitative description of the singlet–triplet energy gap. The resultant decrease in the HOMO − LUMO energy gap is responsible for the red shift. The possible use as non-linear optical materials is supported by large enhancement in the non-linear optical properties. On the basis of vertical triplet energies, their possible potential therapeutic use as a photosensitizer in photodynamic therapy is proposed. The singlet–triplet energetic gaps suggest that the β-thiophene-fused BF{sub 2}-azadipyrromethene dyes can act as a sensitizer to produce an efficient generation of singlet oxygen. Their optimal use as an efficient singlet fission materials has been proposed on the basis of excitation energies in the ground, lowest singlet and triplet excited states.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2018

Green Synthesis of Fe{sub 3}O{sub 4}/Cellulose/Polyvinyl Alcohol Hybride Aerogel and Its Application for Dye Removal

A novel Fe{sub 3}O{sub 4}/cellulose–polyvinyl alcohol (PVA) aerogel was successfully synthesized by an eco-friendly and facile method in this work. Cellulose/PVA matrix was prepared through an environmental friendly physical cross-linking process and further in-situ decorated with Fe{sub 3}O{sub 4}. Series of Fe{sub 3}O{sub 4} decorated aerogels were prepared and the effects of Fe{sub 3}O{sub 4} nanoparticles (NPs) on the aerogels were systematic investigated. As-prepared aerogels exhibited desirable properties including nanostructure, relatively high porosity, improved mechanical and superparamagnetism. The TEM results showed that Fe{sub 3}O{sub 4} NPs were integrated in the three-dimensional matrix of cellulose/PVA with a diameter of 9–12 nm. Furthermore, the mechanical strength of the aerogels was significantly enhanced after the introduction of Fe{sub 3}O{sub 4} NPs. Meanwhile, the obtained Fe{sub 3}O{sub 4}/cellulose/PVA aerogel exhibited excellent adsorption performance toward methyl blue dye, and can be reused through fenton-like catalysts oxidative degradation of organic dye in H{sub 2}O{sub 2} solution. Therefore, they will have a great potential application as eco-friendly and economical adsorbents.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Iron Nanoparticles α-Chitin Nanocomposite for Enhanced Antimicrobial, Dyes Degradation and Heavy Metals Removal Activities

The synthesis of metal nanoparticles has become a matter of great interest in recent years for overcoming various challenges such as infectious diseases and environmental pollutants. In the present study, a green synthesis of iron nanoparticles (FeNP) was performed using aqueous leaf extract of Corchorus olitorius as a reducing and capping agent. Chitin nanoparticles (CNP) were prepared from shells of Penaeus semisulcatus and used for the preparation of iron/chitin nanocomposite. The structure and properties of the synthesized nanoparticles were investigated by UV–Vis spectroscopy, TEM, EDX, XRD and FTIR analyses and then evaluated for their antimicrobial, dyes degradation and heavy metals adsorption activities. FeNP/CNP nanocomposite showed enhanced antimicrobial activity as compared to that of FeNP and CNP alone. A great degradation had been confirmed upon treatment of dyes with FeNP/CNP nanocomposite. It reached 95% for methyl orange at 150 min. Furthermore, the removal efficiency of heavy metals increased with increasing adsorbents concentrations. FeNP/CNP nanocomposite exhibited higher heavy metals removal efficiency than FeNP and in a shorter time. It caused removal percentages of 98.9, 94.2 and 90.3% for Cr{sup 3+}, Cd{sup 2+} and Ni{sup 2+}, respectively at 30 min. The results confirmed that incorporation of FeNP into CNP improves the properties of FeNP and can be used as a promising strategy to be used as biocompatible antimicrobial and bioremediation agents. Graphical Abstract: .

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Performance of Dye-Sensitized Solar Cells (DSSCs) Fabricated with Zinc Oxide (ZnO) Nanpowders and Nanorods

Due to their high efficiencies, along with lower production costs, many researchers are working on dye-sensitized solar cells (DSSCs) over last few decades as a substitute technology for nonconventional energy. Nanostructured ZnO has got many interesting properties such as wide band gap, large exciton binding energy, good exciton stability, and high breakdown strength, which are applicable as DSSC electrodes. This present work compares the device properties of DSSC fabricated using ZnO nanorods on a ZnO film and ZnO nanopowders. Different types of ZnO photoanode and dye combinations are used to study the stability and photovoltaic properties of the DSSC cell. The photovoltaic properties of the ZnO-based DSSC samples were systematically investigated. The photovoltaic properties of fabricated cell obtained are discussed in the light of band structure and density of states of different types of ZnO nanolayers. The ZnO nanorods fabricated through the sol–gel route have more uniform thickness resulting in enhanced photovoltaic properties of the fabricated device.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2017

Crystal structure and biochemical features of dye-decolorizing peroxidase YfeX from Escherichia coli O157 Asp{sup 143} and Arg{sup 232} play divergent roles toward different substrates

YfeX from Escherichia coli O157 is a bacterial dye-decolorizing peroxidase that represents both dye-decoloring activity and typical peroxidase activity. We reported the crystal structure of YfeX bound to heme at 2.09 Å resolution. The YfeX monomer resembles a ferredoxin-like fold and contains two domains. The three conserved residues surrounding the heme group are His{sup 215}, Asp{sup 143} and Arg{sup 232}. His{sup 215} functions as the proximal axial ligand of the heme iron atom. Biochemical data show that the catalytic significance of the conserved Asp{sup 143} and Arg{sup 232} depends on the substrate types and that YfeX may adopt various catalytic mechanisms toward divergent substrates. In addition, it is observed that an access tunnel spans from the protein molecular surface to the heme distal region, it serves as the passageway for the entrance and binding of the H{sub 2}O{sub 2}. - Highlights: • We determined the crystal structure of YfeX bound to heme at 2.09 Å resolution. • The conserved Asp{sup 143} and Arg{sup 232} play different roles toward divergent substrates. • The H{sub 2}O{sub 2} access tunnel spans from the protein molecular surface to the heme distal region.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Elucidating non-radiative decay in near-infrared lumiphores: Leveraging new design principles to develop a telecom band organic dye laser

Organic near-infrared (NIR) lumiphores have been targeted for biological and technological applications; however, these dyes exhibit exponentially decreasing quantum yields with decreasing energy gaps. The accepted model of this phenomenon invokes C–H stretching modes as the dominant route of non-radiative energy dissipation. Reducing the number of these modes is a popular strategy for the design of bright NIR lumiphores, but quantitative experimental validation of this strategy is lacking. Here, we evaluate the role of C–H modes in non-radiative relaxation through isotopic labeling of a NIR-emitting complex. Measurements comparing relaxation between protonated and perdeuterated complexes indicate that C–H modes do not contribute significantly to non-radiative relaxation. We instead propose that skeletal modes may play a larger role and suggest that minimizing scaffold size is a promising route for bright NIR lumiphores. In conclusion, we demonstrate the promise of such strategies through the development of the reddest organic-based laser dye yet reported.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Controllable synthesis of ZnO nanograss with different morphologies and enhanced performance in dye-sensitized solar cells

A series of ZnO nanograss films grown on fluorine-doped tin oxide coated glass substrates were synthesized via hydrothermal method by using polyethyleneimine (PEI) as adjusting agent. The films were characterized by field emission scanning electron microscope (FE-SEM) and X-ray diffraction (XRD). It was found that the PEI not only affected the aspect ratios of ZnO nanograss but also changed the geometrical shape of ZnO nanograss. A possible mechanism based on PEI adsorbed on the non-polar facets of ZnO that governed the growth rate of different directions were proposed to elucidate the effect of PEI on morphology of ZnO. The ZnO nanograss films were applied to dye-sensitized solar cells (DSSCs). The results showed that the photocurrent density significantly enhanced, and the power conversion efficiency increased by 55% based on ZnO nanograss synthesized in a growth solution containing 7 mmol/L PEI, resulting from the dye loading properties related to the different morphologies. - Graphical abstract: Effect of PEI on ZnO nanograss: controlling the aspect ratio and morphology of ZnO and enhancing their photovoltaic performance. Highlights: Black-Right-Pointing-Pointer ZnO nanograss with different aspect ratios were synthesized by adjusting PEI content. Black-Right-Pointing-Pointer PEI affects both on the aspect ratios and geometrical shapes of ZnO nanograss. Black-Right-Pointing-Pointer ZnO nanograss with high aspect ratio and needle-like tip was advantageous for improved photovoltaic conversion performance.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Enhanced performance of dye-sensitized solar cells based on organic dopant incorporated PVDF-HFP/PEO polymer blend electrolyte with g-C{sub 3}N{sub 4}/TiO{sub 2} photoanode

This work describes the effect of 2-aminopyrimidine (2-APY) on poly(vinylidinefluoride-co-hexafluoropropylene) (PVDF-HFP)/polyethylene oxide (PEO) blend polymer electrolyte along with binary iodide salts (tetrabutylammonium iodide (TBAI) and potassium iodide (KI)) and iodine (I{sub 2}) were studied for enhancing the efficiency of the dye-sensitized solar cells (DSSCs) consisting of g-C{sub 3}N{sub 4}/TiO{sub 2} composite as photoanode. The g-C{sub 3}N{sub 4} was synthesized from low cost urea by thermal condensation method. It was used as a precursor to synthesize the various weight percentage ratios (5%, 10% and 15%) of g-C{sub 3}N{sub 4}/TiO{sub 2} composites by wet-impregnation method. The pure and 2-APY incorporated PVDF-HFP/PEO polymer blend electrolytes were arranged by wet chemical process (casting method) using DMF as a solvent. The synthesized g-C{sub 3}N{sub 4}/TiO{sub 2} composites and polymer blend electrolytes were studied and analyzed by Fourier transform infrared (FT-IR) spectroscopy, X-ray diffractometer (XRD) and scanning electron microscopy (SEM). The ionic conductivity values of the pure and 2-APY incorporated PVDF-HFP/PEO blend electrolytes were estimated to be 4.53×10{sup −5} and 1.87×10{sup −4} Scm{sup −1} respectively. The UV–vis absorption spectroscopy was carried out for the pure and different wt% of g-C{sub 3}N{sub 4}/TiO{sub 2} composites coated FTO films after N3 dye-sensitization. The 10 wt% g-C{sub 3}N{sub 4}/TiO{sub 2} composite film showed a maximum absorption compared to the others. The DSSC assembled with 10 wt% g-C{sub 3}N{sub 4}/TiO{sub 2} as photoanode using the pure polymer blend electrolyte exhibited a power conversion efficiency (PCE) of 3.17% , which was superior than that of DSSC based pure TiO{sub 2} (2.46%). However, the PCE was increased to 4.73% for the DSSC assembled using 10 wt% g-C{sub 3}N{sub 4}/TiO{sub 2} as photoanode with 2-APY incorporated polymer blend electrolyte. Hence, the present study is a successful attempt to provide a new pathway to enhance the performance of DSSCs. - Graphical abstract: In this study, the g-C{sub 3}N{sub 4} was synthesized from low cost urea and it was used as a precursor to synthesize of g-C{sub 3}N{sub 4}/TiO{sub 2} composite. The pure and 2-APY incorporated PVDF-HFP/PEO electrolytes were fabricated by solution casting method. A remarkably enhanced PCE of 4.73% was observed for 2-APY incorporated PVDF-HFP/PEO electrolyte with g-C{sub 3}N{sub 4}/TiO{sub 2} composite photoanode based DSSC. - Highlights: • 2-APY added PVDF-HFP/PEO electrolyte was prepared by solution casting method. • The g-C{sub 3}N{sub 4}/TiO{sub 2} composites were synthesized by wet-impregnation method. • DSSC with g-C{sub 3}N{sub 4}/TiO{sub 2} and 2-APY added electrolyte showed the efficiency of 4.73 %. • The g-C{sub 3}N{sub 4} and 2-APY can be a useful dopant to enhance the performance of DSSCs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Fabrication of a magnetic nanocomposite photocatalysts Fe{sub 3}O{sub 4}@ZIF-67 for degradation of dyes in water under visible light irradiation

As organic dyes are a major group of water pollutants, the development of materials for the removal of dyes is of great significance for the environment. Here, a novel flower-like Fe{sub 3}O{sub 4}@ZIF-67 photocatalyst was synthesized using a simple method at room temperature. It was found that the Fe{sub 3}O{sub 4}@ZIF-67 exhibited the ability of degrading Congo red (CR) quickly under visible light irradiation in a short time after adsorption equilibrium. Free radical trapping experiments revealed that the photo-induced active species superoxide radical (• O{sup 2−}) and holes (h{sup +}) were the predominant active species in the photocatalytic system. In addition, results demonstrated that the Fe{sub 3}O{sub 4}@ZIF-67 can be magnetically recycled, and maintain high photocatalytic activity after reuse over five cycles with no obvious decrease in the removal efficiency. It suggested that the synthesized material had a potentially promising application for CR removal from waste water. - Graphical abstract: A flower-like structure of ZIF-67 loaded with Fe{sub 3}O{sub 4} was synthesized by a facile method. It showed high photocatalysis activity that can degradate congo red (CR) completely in a short time. Display Omitted - Highlights: • A flower-like structure of ZIF-67 was synthesized. • It presents high photocatalytic activity to CR. • The product could be collected conveniently by magnets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗