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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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Charge transport and recombination in P3HT:PbS solar cells

The charge carrier transport in thin film hybrid solar cells is analyzed and correlated with device performance and the mechanisms responsible for recombination loss. The hybrid bulk heterojunction consisted of a blend of poly(3-hexylthiophene) (P3HT) and small size (2.4 nm) PbS quantum dots (QDs). The charge transport in the P3HT:PbS blends was determined by measuring the space-charge limited current in hole-only and electron-only devices. When the loading of PbS QDs exceeds the percolation threshold, a significant increase of the electron mobility is observed in the blend with PbS QDs. The hole mobility, on the other hand, only slightly decreased upon increasing the loading of PbS QDs. We also showed that the photocurrent is limited by the low shunt resistance rather than by space-charge effects. The significant reduction of the fill factor at high light intensity suggests that under these conditions the non-geminate recombination dominates. However, at open-circuit conditions, the trap-assisted recombination dominates over non-geminate recombination.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Tomography based numerical simulation of the demagnetizing field in soft magnetic composites

The magneto-static behaviour of soft magnetic composites (SMCs) is investigated using tomography based direct numerical simulation. The microgeometry crucially affects the magnetic properties of the composite since a geometry dependent demagnetizing field is established inside the composite, which lowers the magnetic permeability. We determine the magnetic field information inside the SMC using direct numerical simulation of the magnetic field based on high resolution micro-computed tomography data of the SMC's microstructure as well as artificially generated data made of statistically homogeneous systems of identical fully penetrable spheres and prolate spheroids. Quasi-static electromagnetic behaviour and linear material response are assumed. The 3D magnetostatic Maxwell equations are solved using Whitney finite elements. Simulations show that clustering and percolation behaviour determine the demagnetizing factor of SMCs rather than the particle shape. The demagnetizing factor correlates with the slope of a 2-point probability function at its origin, which is related to the specific surface area of the SMC. Comparison with experimental results indicates that the relatively low permeability of SMCs cannot be explained by demagnetizing effects alone and suggests that the permeability of SMC particles has to be orders of magnitude smaller than the bulk permeability of the particle material.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Effect of cooling rate on the properties of high density polyethylene/multi-walled carbon nanotube composites

High density polyethylene (HDPE)/multi-walled carbon nanotube (MWCNT) nanocomposites were prepared by melt mixing using twin-screw extrusion. The extruded pellets were compression moulded at 200°C for 5min followed by cooling at different cooling rates (20°C/min and 300°C/min respectively) to produce sheets for characterization. Scanning electron microscopy (SEM) shows that the MWCNTs are uniformly dispersed in the HDPE. At 4 wt% addition of MWCNTs composite modulus increased by over 110% compared with the unfilled HDPE (regardless of the cooling rate). The yield strength of both unfilled and filled HDPE decreased after rapid cooling by about 10% due to a lower crystallinity and imperfect crystallites. The electrical percolation threshold of composites, irrespective of the cooling rate, is between a MWCNT concentration of 1∼2 wt%. Interestingly, the electrical resistivity of the rapidly cooled composite with 2 wt% MWCNTs is lower than that of the slowly cooled composites with the same MWCNT loading. This may be due to the lower crystallinity and smaller crystallites facilitating the formation of conductive pathways. This result may have significant implications for both process control and the tailoring of electrical conductivity in the manufacture of conductive HDPE/MWCNT nanocomposites.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Electrical and dielectric properties of foam injection-molded polypropylene/multiwalled carbon nanotube composites

A combination of high dielectric permittivity (ε′) and low dielectric loss (tan δ) is required for charge storage applications. In percolative systems such as conductive polymer composites, however, obtaining high ε′ and low tan δ is very challenging due to the sharp insulation-conduction transition near the threshold region. Due to the particular arrangement of conductive fillers induced by both foaming and injection molding processes, they may address this issue. Therefore, this work evaluates the application of foam injection molding process in fabricating polymer nanocomposites for energy storage. Polypropylene-multiwalled carbon nanotubes (PP-MWCNT) composites were prepared by melt mixing and foamed in an injection molding process. Electrical conductivity (σ), ε′ and tan δ were then characterized. Also, scanning and transmission electron microscopy (SEM and TEM) was used to investigate the carbon nanotube’s arrangement as well as cellular morphology. The results showed that foam injection-molded composites exhibited highly superior dielectric properties to those of solid counterparts. For instance, foamed samples had ε′=68.3 and tan δ =0.05 (at 1.25 vol.% MWCNT), as opposed to ε′=17.8 and tan δ=0.04 in solid samples (at 2.56 vol.% MWCNT). The results of this work reveal that high performance dielectric nanocomposites can be developed using foam injection molding technologies for charge storage applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Decay of transverse correlations in quantum Heisenberg models

We study a class of quantum spin systems that include the S=1/2 Heisenberg and XY-models and prove that two-point correlations exhibit exponential decay in the presence of a transverse magnetic field. The field is not necessarily constant, it may be random, and it points in the same direction. Our proof is entirely probabilistic and it relies on a random loop representations of the correlation functions, on stochastic domination and on first-passage percolation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

The operation mechanism of poly(9,9-dioctylfluorenyl-2,7-diyl) dots in high efficiency polymer solar cells

The highly efficient polymer solar cells were realized by doping poly(9,9-dioctylfluorenyl-2,7-diyl) (PFO) dots into active layer. The dependence of doping amount on devices performance was investigated and a high efficiency of 7.15% was obtained at an optimal concentration, accounting for a 22.4% enhancement. The incorporation of PFO dots (Pdots) is conducted to the improvement of J{sub sc} and fill factor mainly due to the enhancement of light absorption and charge transport property. Pdots blended in active layer provides an interface for charge transfer and enables the formation of percolation pathways for electron transport. The introduction of Pdots was proven an effective way to improve optical and electrical properties of solar cells.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Fast and sensitive detection of an oscillating charge

We investigate the high-frequency operation of a percolation field effect transistor to monitor microwave excited single trapped charge. Readout is accomplished by measuring the effect of the polarization field associated with the oscillating charge on the AC signal generated in the channel due to charge pumping. This approach is sensitive to the relative phase between the polarization field and the pumped current, which is different from the conventional approach relying on the amplitude only. Therefore, despite the very small influence of the single oscillating trapped electron, a large signal can be detected. Experimental results show large improvement in both signal-to-noise ratio and measurement bandwidth.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Ultrafast terahertz modulation characteristic of tungsten doped vanadium dioxide nanogranular film revealed by time-resolved terahertz spectroscopy

The ultrafast terahertz (THz) modulation characteristic during photo-induced insulator-to-metal transition (IMT) of undoped and tungsten (W)-doped VO{sub 2} film was investigated at picoseconds time scale using time-resolved THz spectroscopy. W-doping slows down the photo-induced IMT dynamic processes (both the fast non-thermal process and the slow metallic phase propagation process) in VO{sub 2} film and also reduces the pump fluence threshold of photo-induced IMT in VO{sub 2} film. Along with the observed broadening of phase transition temperature window of IMT in W-doped VO{sub 2}, we conclude that W-doping prevents metallic phase domains from percolation. By further extracting carrier properties from photo-induced THz conductivity at several phase transition times, we found that the electron-electron correlation during IMT is enhanced in W-doped VO{sub 2}.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

The role of fluctuations in bistability and oscillations during the H{sub 2} + O{sub 2} reaction on nanosized rhodium crystals

A combined experimental and theoretical study is presented of fluctuations observed by field ion microscopy in the catalytic reaction of water production on a rhodium tip. A stochastic approach is developed to provide a comprehensive understanding of the different phenomena observed in the experiment, including burst noise manifesting itself in a bistability regime, noisy oscillations, and nanopatterns with a cross-like oxidized zone separating the surface into four quadrants centered on the (111) facets. The study is based on a stochastic model numerically simulating the processes of adsorption, desorption, reaction, and transport. The surface diffusion of hydrogen is described as a percolation process dominated by large clusters corresponding to the four quadrants. The model reproduces the observed phenomena in the ranges of temperature, pressures, and electric field of the experiment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Studies on the effect of acid treated TiO{sub 2} on the electrical and tensile properties of hexanoyl chitosan-polystyrene-LiCF{sub 3}SO{sub 3} composite polymer electrolytes

Composite polymer electrolytes (CPEs) comprised of hexanoyl chitosan:polystyrene (90:10) blend, lithium triflouromethanesulfonate (LiCF{sub 3}SO{sub 3}) salt and titanium oxide (TiO{sub 2}) filler were prepared by solution casting technique. The TiO{sub 2} fillers were treated with 2% sulphuric acid (H{sub 2}SO{sub 4}) aqueous solution. The effect of acid treated TiO{sub 2} on the electrical and tensile properties of the electrolytes were investigated. Acid treated TiO{sub 2} decreased the electrolyte conductivity. Both the dielectric constant and dielectric loss decrease with increasing frequency and increases with increasing temperature. Relaxation times for ionic carriers were extracted from the loss tangent maximum peak at various temperatures. A distribution of relaxation time implied the non-Debye response. At all frequencies, ac conductivity increases with increasing temperature. An enhancement in the Young’s modulus was observed with the addition of TiO{sub 2}. The Young’s modulus increases with increasing TiO{sub 2} content. This is discussed using the percolation concept.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Resistive switching phenomena: A review of statistical physics approaches

Here we report that resistive switching (RS) phenomena are reversible changes in the metastable resistance state induced by external electric fields. After discovery ~50 years ago, RS phenomena have attracted great attention due to their potential application in next-generation electrical devices. Considerable research has been performed to understand the physical mechanisms of RS and explore the feasibility and limits of such devices. There have also been several reviews on RS that attempt to explain the microscopic origins of how regions that were originally insulators can change into conductors. However, little attention has been paid to the most important factor in determining resistance: how conducting local regions are interconnected. Here, we provide an overview of the underlying physics behind connectivity changes in highly conductive regions under an electric field. We first classify RS phenomena according to their characteristic current–voltage curves: unipolar, bipolar, and threshold switchings. Second, we outline the microscopic origins of RS in oxides, focusing on the roles of oxygen vacancies: the effect of concentration, the mechanisms of channel formation and rupture, and the driving forces of oxygen vacancies. Third, we review RS studies from the perspective of statistical physics to understand connectivity change in RS phenomena. We discuss percolation model approaches and the theory for the scaling behaviors of numerous transport properties observed in RS. Fourth, we review various switching-type conversion phenomena in RS: bipolar-unipolar, memory-threshold, figure-of-eight, and counter-figure-of-eight conversions. Finally, we review several related technological issues, such as improvement in high resistance fluctuations, sneak-path problems, and multilevel switching problems.

36 MATERIALS SCIENCE↗
DOE OSTI2015

A tunable amorphous p-type ternary oxide system: The highly mismatched alloy of copper tin oxide

The approach of combining two mismatched materials to form an amorphous alloy was used to synthesise ternary oxides of CuO and SnO{sub 2}. These materials were analysed across a range of compositions, and the electronic structure was modelled using density functional theory. In contrast to the gradual reduction in optical band gap, the films show a sharp reduction in both transparency and electrical resistivity with copper contents greater than 50%. Simulations indicate that this change is caused by a transition from a dominant Sn 5s to Cu 3d contribution to the upper valence band. A corresponding decrease in energetic disorder results in increased charge percolation pathways: a “compositional mobility edge.” Contributions from Cu(II) sub band-gap states are responsible for the reduction in optical transparency.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Three-dimensional multimodal imaging and analysis of biphasic microstructure in a Ti–Ni–Sn thermoelectric material

The three-dimensional microstructure of levitation melted TiNi{sub 1.20}Sn has been characterized using the TriBeam system, a scanning electron microscope equipped with a femtosecond laser for rapid serial sectioning, to map the character of interfaces. By incorporating both chemical data (energy dispersive x-ray spectroscopy) and crystallographic data (electron backscatter diffraction), the grain structure and phase morphology were analyzed in a 155 μm × 178 μm × 210 μm volume and were seen to be decoupled. The predominant phases present in the material, half-Heusler TiNiSn, and full-Heusler TiNi{sub 2}Sn have a percolated structure. The distribution of coherent interfaces and high-angle interfaces has been measured quantitatively.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Universal crossover of the charge carrier fluctuation mechanism in different polymer/carbon nanotubes composites

Carbon nanotubes added to polymer and epoxy matrices are compounds of interest for applications in electronics and aerospace. The realization of high-performance devices based on these materials can profit from the investigation of their electric noise properties, as this gives a more detailed insight of the basic charge carriers transport mechanisms at work. The dc and electrical noise characteristics of different polymer/carbon nanotubes composites have been analyzed from 10 to 300 K. The results suggest that all these systems can be regarded as random resistive networks of tunnel junctions formed by adjacent carbon nanotubes. However, in the high-temperature regime, contributions deriving from other possible mechanisms cannot be separated using dc information alone. A transition from a fluctuation-induced tunneling process to a thermally activated regime is instead revealed by electric noise spectroscopy. In particular, a crossover is found from a two-level tunneling mechanism, operating at low temperatures, to resistance fluctuations of a percolative network, in the high-temperature region. The observed behavior of 1/f noise seems to be a general feature for highly conductive samples, independent on the type of polymer matrix and on the nanotube density.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Investigation of gate-diode degradation in normally-off p-GaN/AlGaN/GaN high-electron-mobility transistors

Gate diode conduction mechanisms were analyzed in normally-off p-GaN/AlGaN/GaN high-electron mobility transistors grown on Si wafers before and after forward bias stresses. Electrical characterization of the gate diodes indicates forward current to be limited by channel electrons injected through the AlGaN/p-GaN triangular barrier promoted by traps. On the other hand, reverse current was found to be consistent with carrier generation-recombination processes in the AlGaN layer. Soft breakdown observed after ∼10{sup 5 }s during forward bias stress at gate voltage of 7 V was attributed to formation of conductive channel in p-GaN/AlGaN gate stack via trap generation and percolation mechanism, likely due to coexistence of high electric field and high forward current density. Possible enhancement of localized conductive channels originating from spatial inhomogeneities is proposed to be responsible for the degradation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Effects of magnetic field treatment on dielectric properties of CCTO@Ni/PVDF composite with low concentration of ceramic fillers

Using melt mixing, we produced a ceramic/polymer composite with a matrix of polyvinylidene fluoride (PVDF) and a filler of 5 vol.% Ni-deposited CaCu{sub 3}Ti{sub 4}O{sub 12} core-shell ceramic particles (CCTO@Ni), and studied its prominent dielectric characteristics for the first. Its phase composition and morphology were analyzed by X-ray diffraction and scanning electron microscopy, respectively. After treating the composite films with various durations of a magnetic field treatment, we compared their dielectric properties. We found that the CCTO@Ni ceramic had a typical urchin-like core-shell structure, and that different durations of the magnetic field treatment produced different distributions of ceramic particles in the PVDF matrix. The dielectric permittivity of the untreated CCTO@Ni/PVDF composite was 20% higher than that of neat PVDF, and it had a low loss tangent. However, only the composite treated for 30 min in the magnetic field had an ultra-high dielectric permittivity of 1.41 × 10{sup 4} at 10 Hz, three orders of magnitude higher than the untreated composite, which declined dramatically with increasing frequency, accompanied by an insulating-conducting phase transition and an increase in loss tangent. Our results demonstrate that changes in the dielectric properties of PVDF composites with magnetic field treatment are closely related to the percolation effect and interfacial polarization.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Structural evolution of Ge-rich Si{sub 1−x}Ge{sub x} films deposited by jet-ICPCVD

Amorphous Ge-rich Si{sub 1−x}Ge{sub x} films with local Ge-clustering were deposited by dual-source jet-type inductively coupled plasma chemical-vapor deposition (jet-ICPCVD). The structural evolution of the deposited films annealed at various temperatures (Ta) is investigated. Experimental results indicate that the crystallization occurs to form Ge and Si clusters as Ta = 500 °C. With raising Ta up to 900 °C, Ge clusters percolate together and Si diffuses and redistributes to form a Ge/SiGe core/shell structure, and some Ge atoms partially diffuse to the surface as a result of segregation. The present work will be helpful in understanding the structural evolution process of a hybrid SiGe films and beneficial for further optimizing the microstructure and properties.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Three-dimensional morphology of CuInS{sub 2}:P3HT hybrid blends for photovoltaic applications

Despite potential advantages, the performance of hybrid solar cells with colloidal nanocrystals remains low compared to pure organic solar cells, in particular, when Cd- and Pb-free nanocrystals are employed. To understand this discrepancy, we analyzed possible limiting factors of the performance of hybrid solar cells with CuInS{sub 2} nanoparticles and the polymer poly(3-hexylthiophene) (P3HT). Optimizing the thickness of the active layer indicated that charge transport limits the performance of the solar cells. Since charge transport is among others influenced by the morphology of the bulk heterojunction layer, we performed a detailed analysis of the blend morphology. Therefore, we used electron tomography which provides three-dimensional information on the interpenetrating network formed by the hybrid CuInS{sub 2}:P3HT system. Using statistical methods, we analyzed the distribution of the nanoparticles inside the polymer matrix and the structure of the percolation paths. We found that the morphology appears well suited for application in hybrid solar cells, meaning that other factors must be the bottleneck. Therefore, we investigated in a second step the influence of a post-deposition ligand exchange with acetic acid. This strategy resulted in a strong relative improvement of the solar cell performance, although absolute performance parameters remain low in comparison to hybrid solar cells with colloidal cadmium or lead chalcogenide nanocrystals.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗