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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 1,747 records · Page 97
All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

Defect mode suppression in a photonic crystal structure with a resonance nanocomposite layer

This paper examines the key features of the transmission and reflection spectra of a one-dimensional photonic crystal structure in which a nanocomposite layer is sandwiched between dielectric Bragg mirrors. Two orthogonal polarisations of an incident wave correspond to different plasmon resonance frequencies of the nanocomposite. If one of the plasmon frequencies coincides with the defect mode frequency in one of the photonic bandgaps, complete suppression of the defect mode in the transmission spectrum is possible, which makes the spectra of such structures polarisation-sensitive.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

AFM investigation of effect of absorbed water layer structure on growth mechanism of octadecyltrichlorosilane self-assembled monolayer on oxidized silicon

The growth mechanism of an octadecyltrichlorosilane (OTS) self-assembled monolayer on a silicon oxide surface at various relative humidities has been investigated. Atomic force microscopy images show that excess water may actually hinder the nucleation and growth of OTS islands. A moderate amount of water is favorable for the nucleation and growth of OTS islands in the initial stage; however, the completion of the monolayer is very slow in the final stage. The growth of OTS islands on a low-water-content surface maintains a relatively constant speed and requires the least amount of time. The mobility of water molecules is thought to play an important role in the OTS monolayers, and a low-mobility water layer provides a steady condition for OTS monolayer growth.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Tailoring Curie temperature and magnetic anisotropy in ultrathin Pt/Co/Pt films

The dependence of perpendicular magnetization and Curie temperature (T{sub c}) of Pt/Co/Pt thin films on the thicknesses of Pt seed (Pt{sub s}) and presence of Ta buffer layer has been investigated in this work. Pt and Co thicknesses were varied between 2 to 8 nm and 0.35 to 1.31 nm (across the spin reorientation transition thickness) respectively and the T{sub c} was measured using SQUID magnetometer. We have observed a systematic dependence of T{sub c} on the thickness of Pt{sub s}. For 8 nm thickness of Pt{sub s} the Co layer of 0.35 nm showed ferromagnetism with perpendicular anisotropy at room temperature. As the thickness of the Pt{sub s} was decreased to 2 nm, the T{sub c} went down below 250 K. XRD data indicated polycrystalline growth of Pt{sub s} on SiO{sub 2}. On the contrary Ta buffer layer promoted the growth of Pt(111). As a consequence Ta(5 nm)/Pt(3 nm)/Co(0.35 nm)/Pt(2 nm) had much higher T{sub c} (above 300 K) with perpendicular anisotropy when compared to the same stack without the Ta layer. Thus we could tune the ferromagnetic T{sub c} and anisotropy by varying the Pt{sub s} thickness and also by introducing Ta buffer layer. We attribute these observations to the micro-structural evolution of Pt{sub s} layer which hosts the Co layer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Liquid Exfoliation of Few-layer 1T-TaS{sub 2−x}Se{sub x} Superconductors

Atomic layer superconductors (ALSCs) have been applied in studying many quantum phenomena over the past ten years. However, self-standing ALSCs beyond the conventional substrates have not been developed yet except from mechanical exfoliation. We here report the successful synthesis of the freestanding unadulterated TaS{sub 2−x}Se{sub x} ALSCs via a simple liquid exfoliation method.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

CH 3 Radical Generation in Microplasmas for Up-Conversion of Methane

The conversion of methane, CH 4 , into higher value chemicals using low temperature plasmas is challenged by both improving efficiency and selectivity. One path towards selectivity is capturing plasma produced methyl radicals, CH 3 , in a solvent for aqueous processing. Due to the rapid reactions of methyl radicals in the gas phase, the transport distance from production of the CH 3 to its solvation should be short, which then motivates the use of microplasmas. The generation of CH 3 in Ar/CH 4 /H 2 O plasmas produced in nanosecond pulsed dielectric barrier discharge microplasmas is discussed using results from a computational investigation. The microplasma is sustained in the channel of a microfluidic chip in which the solvent flows along one wall or in droplets. CH 3 is primarily produced by electron-impact of and dissociative excitation transfer to CH 4 , as well as CH 2 reacting with CH 4 . CH 3 is rapidly consumed to form C 2 H 6 which, in spite of being subject to these same dissociative processes, accumulates over time, as do other stable products including C 3 H 8 and CH 3 OH. The gas mixture and electrical properties were varied to assess their effects on CH 3 production. CH 3 production is largest with 5% CH 4 in the Ar/CH 4 /H 2 O mixture due to an optimal balance of electron-impact dissociation, which increases with CH 4 percentage, and dissociative excitation transfer and CH 2 reacting with CH 4 , which decrease with CH 4 percentage. Design parameters of the microchannels were also investigated. Increasing the permittivity of the dielectrics in contact with the plasma increased the ionization wave intensity which increased CH 3 production. Increased energy deposition per pulse generally increased CH 3 production as does lengthening pulse length up to a certain point. The arrangement of the solvent flow in the microchannel can also affect the CH 3 density and fluence to the solvent. The fluence of CH 3 to the liquid solvent is increased if the liquid is immersed in the plasma as a droplet or is a layer on the wall where the ionization wave terminates. The solvation dynamics of CH 3 with varying numbers of droplets was also examined. Here, the maximum density of solvated methyl radicals CH 3aq occurs with a large number of droplets in the plasma. However, the solvated CH 3aq density can rapidly decrease due to desolvation, emphasizing the need to quickly react the solvated species in the solvent.

03 NATURAL GAS↗
DOE OSTI2014

Two-dimensional electron and hole gases in In{sub x}Ga{sub 1−x}N/Al{sub y}Ga{sub 1−y}N/GaN heterostructure for enhancement mode operation

In this paper, a numerical study of In{sub x}Ga{sub 1−x}N/Al{sub y}Ga{sub 1−y}N/GaN heterostructure is presented. The dependence of two-dimensional electron gas (2DEG) and two-dimensional hole gas (2DHG) sheet densities on variables, such as In{sub x}Ga{sub 1−x}N layer thickness and In content, and Al{sub y}Ga{sub 1−y}N barrier layer thickness and Al content, are systematically investigated. The effect of P-type doping in In{sub x}Ga{sub 1−x}N on 2DEG and 2DHG sheet densities in this heterostructure is also studied. It is shown that the strong reverse electric field in In{sub x}Ga{sub 1−x}N cap layer contributes to the depletion of 2DEG at the Al{sub y}Ga{sub 1-y}N/GaN interface. When In{sub x}Ga{sub 1−x}N layer thickness and In content increases, 2DEG sheet density decreases significantly. P-type doping shows less influence on 2DEG compared to the polarization electric field in In{sub x}Ga{sub 1−x}N layer. In addition, there exist critical values for all the variables beyond which 2DHG appears at the interface of In{sub x}Ga{sub 1−x}N/Al{sub y}Ga{sub 1−y}N. Once 2DHG appears, it will prevent 2DEG from being further depleted. With proper design of Al{sub y}Ga{sub 1−y}N layer, the coexistence of 2DEG and 2DHG in In{sub x}Ga{sub 1−x}N/Al{sub y}Ga{sub 1−y}N/GaN structure can be avoided, showing that this structure has great potential in the fabrication of enhancement mode (E-mode) high electron mobility transistors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Insights on the Stabilization of Nickel-Rich Cathode Surfaces: Evidence of Inherent Instabilities in the Presence of Conformal Coatings

We report that Ni-rich LiNi 1-x-y MnxCo y O 2 (NMC) cathode materials are being aggressively developed for high-voltage applications such as electric vehicles. These materials are desirable because of their high volumetric energy and power densities. However, degradation phenomena related to surface instabilities of highly charged Ni-rich cathodes have been, and remain, a major concern with respect to cycle life and safety of Li-ion cells. Although many reports exist on the properties and behavior of such materials, sufficient advances have yet to be made with respect to the stabilization of cathode surfaces. Herein, we report on an investigation aimed at probing the inherent stability of electrochemically active Ni δ+ species at the surface of NMC-type, layered-oxide cathode particles. A model system is developed that allows for studies of both surface and bulk species using hard X-ray absorption and electron energy loss spectroscopies. Spectroscopy data collected on cathode electrodes, coated with Al 2 O 3 via atomic layer deposition, reveals that the coating does not enhance the ability to attain, or maintain, fully oxidized Ni (Ni 4+ ) in the near-surface regions of charged cathode particles. The results suggest an inherent instability of Ni δ+ near the surfaces of cathode particles and imply that the strategy of using Al 2 O 3 as a physical barrier coating is not sufficient to overcome these instabilities in layered nickel-rich oxides. Therefore, the system developed for this work can be used as a tool to probe, in working cells, the efficacy of other strategies such as electrolytes, additives, and coatings in stabilizing surface Ni δ+ species in NMC-type cathodes.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Optimized aperiodic multilayer structures for use as narrow-angular absorbers

In this paper, we investigate aperiodic multilayer structures for use as narrow-angular absorbers. The layer thicknesses and materials are optimized using a genetic global optimization algorithm coupled to a transfer matrix code to maximize the angular selectivity in the absorptance at a single or multiple wavelengths. We first consider structures composed of alternating layers of tungsten and silicon or silica, and find that it is not possible to achieve angular selectivity in the absorptance with such structures. We next consider structures composed of alternating layers of silicon and silica, and show that when optimized they exhibit high angular selectivity in absorptance. In addition, as the angular selectivity in absorptance increases, the wavelength range of high angular selectivity also decreases. Optimizing the material composition of the multilayer structures, in addition to optimizing the layer thicknesses, leads to marginal improvement in angular selectivity. Finally, we show that by optimizing the absorptance of the multilayer structures at multiple wavelengths, we can obtain structures exhibiting almost perfect absorptance at normal incidence and narrow angular width in absorptance at these wavelengths. Similar to the structures optimized at a single wavelength, the wavelength range of high angularly selective absorptance is narrow.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Heterostructures of phosphorene and transition metal dichalcogenides for excitonic solar cells: A first-principles study

Using the many-body perturbation GW theory, we study the quasiparticle conduction-band offsets of phosphorene, a two-dimensional atomic layer of black phosphorus, and transition-metal dichalcogenides (TMDs). The calculated large exciton binding energies of phosphorene and TMDs indicate that their type-II heterostructures are suitable for excitonic thin-film solar cell applications. Our results show that these heterojunctions have a potential maximum power conversion efficiency of up to 12%, which can be further enhanced up to 20% by strain engineering.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Color stable white phosphorescent organic light emitting diodes with red emissive electron transport layer

We analyzed the performance of multi-emissive white phosphorescent organic light-emitting diodes (PHOLEDs) in relation to various red emitting sites of hole and electron transport layers (HTL and ETL). The shift of the recombination zone producing stable white emission in PHOLEDs was utilized as luminance was increased with red emission in its electron transport layer. Multi-emissive white PHOLEDs including the red light emitting electron transport layer yielded maximum external quantum efficiency of 17.4% with CIE color coordinates (−0.030, +0.001) shifting only from 1000 to 10 000 cd/m{sup 2}. Additionally, we observed a reduction of energy loss in the white PHOLED via Ir(piq){sub 3} as phosphorescent red dopant in electron transport layer.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Investigation of optical properties of multilayer dielectric structures using prism-coupling technique

A method based on resonant excitation of waveguide modes with a prism coupler is proposed for measuring the thickness and refractive index of thin-film layers in multilayer dielectric structures. The peculiarities of reflection of TE- and TM-polarised light beams from a structure comprising eleven alternating layers of zinc sulfide (ZnS) and magnesium barium fluoride (MgBaF{sub 4}), whose thicknesses are much less than the wavelength of light, are investigated. Using the mathematical model developed, we have calculated the coefficients of reflection of collimated TE and TM light beams from a multilayer structure and determined the optical constants and thicknesses of the structure layers. The refractive indices of the layers, obtained for TE and TM polarisation of incident light, are in good agreement. The thicknesses of ZnS and MgBaF{sub 4} layers, found for different polarisations, coincide with an accuracy of ±1%. Thus, we have demonstrated for the first time that the prism-coupling technique allows one to determine the optical properties of thin-film structures when the number of layers in the structure exceeds ten layers. (integrated optics)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Edge Wave Propagating along a Thin Plasma Layer

A wave propagating along the edge of a thin semi-infinite plasma layer is investigated. The edge wave is described by a set of integral equations that are solved explicitly, yielding the wave dispersion and field distribution.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

Reconfigurable liquid metal based terahertz metamaterials via selective erasure and refilling to the unit cell level

We demonstrate a technique for selectively erasing and refilling unit cells of terahertz (THz) metamaterials. The structures are formed by injecting eutectic gallium indium (EGaIn), a liquid metal at room temperature, into microchannels within a polydimethylsiloxane (PDMS) mold fabricated using conventional soft lithography techniques. The thin oxide layer that forms on the surface of EGaIn can be locally dissolved via exposure to hydrochloric acid (HCl) introduced at the surface of the gas permeable PDMS mold. In the absence of the oxide skin, the liquid metal retracts to a position where a stable new oxide layer can be formed, effectively erasing the liquid metal structure in the presence of HCl. After erasing selected structures, EGaIn can be re-injected into microchannels to yield the initial structure. In the case of small unit cells, we show that mechanical pressure can be used to effectively erase individual elements. We use THz time-domain spectroscopy to characterize the distinct transmission properties for each of these different structures.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Mechanism of power consumption inhibitive multi-layer Zn:SiO{sub 2}/SiO{sub 2} structure resistance random access memory

In this paper, multi-layer Zn:SiO{sub 2}/SiO{sub 2} structure is introduced to reduce the operation power consumption of resistive random access memory (RRAM) device by modifying the filament formation process. And the configuration of multi-layer Zn:SiO{sub 2}/SiO{sub 2} structure is confirmed and demonstrated by auger electron spectrum. Material analysis together with conduction current fitting is applied to qualitatively evaluate the carrier conduction mechanism on both low resistance state and high resistance state. Finally, single layer and multilayer conduction models are proposed, respectively, to clarify the corresponding conduction characteristics of two types of RRAM devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Tailoring the optical properties of wide-bandgap based microcavities via metal films

We report on the tuning of the optical properties of II-VI-material-based microcavity samples, which is achieved by depositing Ag films on top of the structures. The micro-reflectivity spectra show a spectral shift of the sample resonance dependent on the metal layer thickness. By comparison of the experimental findings with the theoretical calculations applying the transfer matrix method on a metal-dielectric mirror structure, the influence of the metal layer particularly with regard to its partial oxidation was explored. Tamm plasmon modes are created at the interface between an open cavity with three ZnSe quantum wells and a metal layer on top. When tuning the excitonic emission relative to the mode by changing the sample temperature, an anticrossing of the resonances was observed. This is a clear indication that the strong coupling regime has been achieved in that sample configuration yielding a Rabi splitting of 18.5 meV. These results are promising for the realization of polariton-based optical devices with a rather simple sample configuration.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Self-assembly of designed precursors: A route to crystallographically aligned new materials with controlled nanoarchitecture

Modulated elemental reactants is a method by which new and complex intergrowth compounds can be synthesized by the self-assembly of designed precursors prepared by physical vapor deposition. Careful calibration of the composition and thickness of the precursors ensures the formation of the desired product by precise control of local composition and diffusion lengths. Superstructures of increasing complexity can be realized using binary and ternary systems as starting points. The synthesis of systems based on three different binary compounds, either alloyed together or separated into distinct layers, expands the number of possible superstructures that can be formed using this technique, but provides analytical challenges. The synthesis of [(SnSe){sub 1.15}]{sub 1}([Ta{sub x}V{sub 1−x}]Se{sub 2}){sub 1}[(SnSe){sub 1.15}]{sub 1}([V{sub y}Ta{sub 1−y}]Se{sub 2}){sub 1} compound is used to illustrate the preparation of precursors and the challenges in both measuring and limiting the interdiffusion of layers during self-assembly. Systematic changes in the electrical properties of (SnSe){sub 1+δ}(Ta{sub x}V{sub 1−x})Se{sub 2} alloys are observed as x is varied. The electrical resistivity of [(SnSe){sub 1.15}]{sub 1}([Ta{sub x}V{sub 1−x}]Se{sub 2}){sub 1}[(SnSe){sub 1.15}]{sub 1}([V{sub y}Ta{sub 1−y}]Se{sub 2}){sub 1} can be modeled as the two constituent layers in parallel.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗