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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 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Green Emitting Cerium Doped CaS Whiskers Grown by Solid State Diffusion Method

Undoped and cerium doped Calcium sulfide (CaS) phosphors were synthesized using solid state diffusion method. The X-ray diffraction pattern revealed that both undoped and doped CaS crystallites have cubic structure with average crystallite size varying from 20 to 30 nm. Scanning electron micrographs indicated that Ce doped CaS phosphors were composed of whiskers with different dimensions and orientations. The optical properties of undoped and Ce doped particles were characterized using Photoluminescence (PL) and UV-Vis absorption spectroscopy. The PL emission spectrum of cerium doped CaS phosphors for an excitation wavelength 465 nm showed a main peak at 500 nm and a shoulder peak at 556 nm due to 5d → 4f transition in Ce{sup 3+} ions. The variation of PL intensity with cerium concentration was investigated and the maximum PL intensity was obtained for a doping concentration of 3 wt.%. The optical band gap of the samples was estimated from the diffuse reflectance spectrum and was found to increase with increase in cerium concentration. The enhanced optical properties of these phosphors can be exploited in various optoelectronic devices including displays and bioimaging techniques.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Study of Electronic, Mechanical, Magnetic, and Optical Properties of Mg{sub 0.75}TM{sub 0.25}S/Se (TM = Fe, Co, Ni): A First Principle Approach

A systematic study of the magnetism, mechanical, and optical behaviors of Mg{sub 0.75}TM{sub 0.25}S/Se (TM = Fe, Co, Ni) ordered alloys was conducted using the full-potential linearized augmented plane wave plus local orbital method. The ferromagnetic (FM) and antiferromagnetic (AFM) ground state energy differences and enthalpy of formation scrutinized their dynamical stability in the FM state. The elastic parameters decided their mechanical stability, ductile behavior, and partial ionic and covalent characters. Moreover, the calculated band structures and density of states revealed the type and origin of magnetism in terms of exchange splitting energies and exchange constants. The Fe- and Ni-doped MgS/Se alloys exhibited half metallic ferromagnetic (HMF) characteristics, while the Co-doped MgS/Se alloy depicted ferromagnetic semiconducting characters. A reduction in the magnetic moments of the transition metals was observed compared with their free space value, which is due to strong p-d hybridization. Furthermore, the optical spectrum showed the maximum light absorbed in the visible and in the UV region of the electromagnetic spectrum, which makes them potential candidates for optoelectronic and spintronic device applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

YBa{sub 2}Cu{sub 3}O{sub 7−x}/BaTiO{sub 3} 1D Superconducting Photonic Crystal with Tunable Broadband Response in the Visible Range

Based on the transfer matrix method, we studied theoretically the transmittance of a 1D photonic crystal (PC), consisting of alternating layers of a dielectric material (BaTiO{sub 3}) and a superconductor (YBa{sub 2}Cu{sub 3}O{sub 7−x}). The dielectric properties of this system are described by the two fluid model. We have investigated the transmittance intensity and its bandwidth dependence on the superconductor thickness, incident angle, and temperature in the PC. It was found that the electromagnetic wave propagation can be controlled to be forbidden or allowed in certain wavelengths in the visible and ultraviolet range, and the photonic band gap (PBG) width can also be tuned varying these parameters. We showed that by increasing the thickness of the superconductor layer it is possible to control the number of PBGs in the structure. Also, we found that the frequency ranges of PBGs are sensitive to the incident angle and the polarization of the electromagnetic waves; the bandwidth of PBGs can be notably enlarged by increasing the angle in the TE polarization, but narrowed in the TM one. Additionally, we found that transmission is not markedly affected by temperature variation, but small shifts in the PBGs are presented. We hope these results can be of technical use for developing potential applications in optoelectronic devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Enhanced absorption of monolayer molybdenum disulfide (MoS{sub 2}) using nanostructures with symmetrical cross resonator in the visible ranges

In order to enhance the absorption of monolayer molybdenum disulfide (MoS{sub 2}), a novel nanostructure with symmetrical cross resonator based on MoS{sub 2} in the visible wavelength ranges has been proposed. At a resonant wavelength of 623 nm, the absorption of monolayer MoS{sub 2} in the absorption structure is as high as 82%, much higher than the bare MoS{sub 2} in the air. The electric field around monolayer MoS{sub 2} is enhanced by the guided mode resonance, thereby enhancing the absorption of monolayer MoS{sub 2} in the structure. The relevant parameters of the proposed structure are adjusted to achieve the tunability of the resonant wavelength in the visible ranges and the high-efficiency absorption of monolayer MoS{sub 2} in the structure, which is of great significance for the applications of MoS{sub 2}-based optoelectronic devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2019

Design of graphene-based hybrid waveguides for nonlinear applications

The extraordinary properties of a monolayer graphene can be effectively utilized in integrated optoelectronic devices. Therefore, the optical properties and the effective parameters on the graphene’s conductivity are calculated at the telecom wavelength 1.55 µm. Next, the different types of photonic and plasmonic hybrid waveguides based on graphene are designed for nonlinear applications such as frequency conversion processes. The fundamental proposed structure consists of a LiNbO{sub 3} layer, a single graphene layer and a dielectric gap between the graphene and LiNbO{sub 3} to support the nonlinear applications such as second harmonic generation. The waveguide’s performance is analyzed in terms of the intensity of electric field, LiNbO{sub 3} thickness, the gap refractive index, mode effective index and propagation loss while the graphene’s chemical potential is varied with an applied gate voltage. According to the results, a sudden rise in propagation loss at µ{sub c} = 0.493 eV (where the permittivity of graphene is almost zero) is observed. At last, a plasmonic hybrid waveguide consisting of a silver strip and a graphene layer placed between the metal and LiNbO{sub 3} layer is presented and the effect of the graphene’s chemical potential on the mode effective index and the propagation length are studied.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Diffusion-driven GaInP/GaAs light-emitting diodes enhanced by modulation doping

Diffusion-driven charge transport (DDCT) in III–V light-emitting diodes (LEDs) can enable unconventional optoelectronic devices and functionality by fundamentally changing device design and the current injection principle. In our recent study, an AlGaAs/GaAs DDCT–LED consisting of an array of lateral heterojunctions was studied for large-area applications at high powers. Here, we investigate the current spreading and recombination uniformity of a modulation doped GaInP/GaAs DDCT–LED. In particular, we analyze how the background doping of the lower GaInP cladding layer (CL) and the GaAs substrate changes the carrier distribution within the active region of the device. Our charge transport simulations based on the drift-diffusion current and continuity equations predict that modulation doping by a p-doped CL provides much higher recombination uniformity at high powers compared to an n-doped CL. Most importantly, improved current spreading is achieved while maintaining excellent device performance.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Ultrathin films based on luminescent complexes of 4-n-octyloxybenzoic acid with lanthanides

Europium(III) and terbium(III) complexes with 4-n-octyloxybenzoic acid of the composition LnL{sub 3} were synthesized and their luminescent properties were studied. It was established that the luminescence intensity of the TbL{sub 3} complex in the visible region is much higher than that of EuL{sub 3}. Langmuir monolayers of these compounds on the water subphase and Langmuir–Blodgett films on solid substrates were prepared. The morphological characteristics of the latter were studied. The results obtained indicate good prospects for application of these compounds in the design and fabrication of planar photonic and optoelectronic devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Rationalizing the photophysical properties of BODIPY laser dyes via aromaticity and electron-donor-based structural perturbations

The absorption and fluorescence properties of six boron dipyrromethene (BODIPY) laser dyes with simple non-aromatic substituents are rationalized by relating them to observable structural perturbations within the molecules of the dyes. An empirical relationship involving the structure and the optical properties is derived using a combination of single-crystal X-ray diffraction data, quantum chemical calculations and electronic constants: i.e. the tendency of the pyrrole bond lengths towards aromaticity and the UV-vis absorption and fluorescence wavelengths correlating with the electron-donor properties of the substituents. The effect of molecular conformation on the solid-state optical properties of the dyes is also discussed. The findings in this study also demonstrate the usefulness and limitations of using crystal structure data to develop structure-property relationships in this class of optical materials, contributing to the growing effort to design optoelectronic materials with tunable properties via molecular engineering.

absorption↗
DOE OSTI2021

Breakthrough: Phase-Pure 2D Perovskite Films

Obtaining phase-pure 2D perovskite films will extend the understanding and applications in various optoelectronic fields. Recently in Nature Energy, Liang and coworkers first present phase-pure 2D perovskites by replacing BAI with BAAc, showing stronger ionic coordination with the perovskite framework. Finally, a PCE of 16.25% with enhanced stability was obtained.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Effects of the slab thickness on the crystal and electronic structures of In{sub 2}O{sub 3}(ZnO){sub m} revealed by first-principles calculations

Many conflicting electron microscopy data for In{sub 2}O{sub 3}(ZnO){sub m} indicate that it may have the polymorphous and polytypoid structures. We investigate their stabilities based on four controversial models. The calculated results confirm that the models with the zigzag feature are more stable than the others and it is possible to form different zigzag configurations in the samples as observed in the experiments. The dynamic process of eliminating the dangling bonds and the requirements of maximizing the symmetry and the distances between the In atoms in the slabs can be regarded as the dominant rules to stabilize the system, but the statistical equilibrium processes have the chances to transform it from the ground state structures to the other model structures. The study of the electronic structures based on the plane and zigzag models reveals that their band gaps and effective masses increase monotonically with m. The predicted band gaps are consistent with the experimental results. The anisotropic feature of electron effective mass tensor exhibited in the plane model differs from that of the zigzag one, which is so notable that can be employed to determine which model is more close to the actual structure of a given sample. The calculated results confirm the possibilities of the separation of conduction electrons and defects and the existence of the natural optimized transport channels in the layered structures, which demonstrate its advantage over ZnO to transport electrons and benefit its applications in the optoelectronic devices. - Graphical abstract: The conduction electrons are mainly distributed around the boundaries of the plane or zigzag shape. The optimized transport channels can be formed around the boundaries. - Highlights: • The formation mechanisms for the polytypoid structure of In{sub 2}O{sub 3}(ZnO){sub m} are revealed. • The predicted band gaps are consistent with the experimental results. • The natural optimized transport channels in the layered structures are confirmed.

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

Synthetic and spectroscopic studies of vanadate glaserites I: Upconversion studies of doubly co-doped (Er, Tm, or Ho):Yb:K{sub 3}Y(VO{sub 4}){sub 2}

The synthesis and upconversion properties of trigonal glaserite-type K{sub 3}Y(VO{sub 4}){sub 2} co-doped with Er{sup 3+}/Yb{sup 3+}, Ho{sup 3+}/Yb{sup 3+}, or Tm{sup 3+}/Yb{sup 3+} were studied. Powder samples were synthesized by solid state reactions at 1000 °C for 48 h, while well-formed hexagonal single crystals of the same were grown hydrothermally using 10 M K{sub 2}CO{sub 3} at 560–650 °C. Infrared-to-visible upconversion by Er{sup 3+}/Yb{sup 3+}, Ho{sup 3+}/Yb{sup 3+}, or Tm{sup 3+}/Yb{sup 3+} codoped-K{sub 3}Y(VO{sub 4}){sub 2} glaserite powder and single crystals was observed, and the upconversion spectral properties were studied as a function of different Er{sup 3+}, Tm{sup 3+}, Ho{sup 3+}, and Yb{sup 3+} ion concentrations. The process is observed under 980 nm laser diode excitation and leads to strong green (552 nm) and red (659 nm) emission for Er{sup 3+}/Yb{sup 3+}, green (549 nm) and red (664 nm) emission for Ho{sup 3+}/Yb{sup 3+}, and blue (475 nm) and red (647 nm) emission for Tm{sup 3+}/Yb{sup 3+}. The main mechanism that allows for up-conversion is attributed the energy transfer among Yb{sup 3+} and the various Er{sup 3+}/Ho{sup 3+}/Tm{sup 3+} ions in excited states. These results illustrate the large potential of co-doped alkali double vanadates for photonic applications involving optoelectronics devices. - Graphical abstract: Synthesis and upconversion in vanadate glaserites. - Highlights: • K{sub 3}Y(VO{sub 4}){sub 2} codoped with Er, Tm, or Ho:Yb were synthesized via solid-state and hydrothermal routes. • Upconversion properties are investigated. • The codoped compounds revealed efficient infrared-to-visible upconversion. • The presented compounds are potential host for solid state lighting.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Material-dependent photon ionizing radiation effects in Si and GaAs PIN diodes: A numerical investigation

We present a finite-element drift-diffusion-Poisson model in the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework to compare the radiation response of silicon (Si) and gallium arsenide (GaAs) PIN diodes under high-energy photon irradiation. The model solves coupled carrier continuity and Poisson’s equations with Shockley-Read-Hall recombination, and is verified against standard analytical J-V behavior. Using a simplified 1D geometry with ideal Ohmic contacts, we quantify device response under forward and reverse bias with a 100 MeV photon flux. Under forward bias, Si exhibits markedly greater radiation sensitivity than GaAs, including larger increases in current density, stronger local field and carrier-product perturbations, and higher recombination. Under reverse bias, GaAs shows larger radiation-induced photocurrent and broader current-density peaks near junctions, indicating an advantage for photodetection. Integrated steady-state recombination is consistently higher in Si across voltages. Under periodic photon pulses, GaAs produces higher-amplitude photoresponse and settles more rapidly than Si. These results highlight material-dependent trade-offs for radiation-tolerant, high-speed optoelectronics and provide guidance for selecting PIN architectures in aerospace, nuclear, and high-energy physics environments.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Transfer of microstructure pattern of CNTs onto flexible substrate using hot press technique for sensing applications

Graphical abstract: - Highlights: • Successfully transfer of microstructure patterned CNTs on PET substrate. • Demonstrate as resistor-based NH{sub 3} gas sensor in the sub-ppm range. • Excellent photodetector having instantaneous response and recovery characteristics. • An effective technique to grow and produce flexible electronic device. - Abstract: In this work, we report the successful and efficient transfer process of two- dimensional (2-D) vertically aligned carbon nanotubes (CNTs) onto polyethylene terephthalate (PET) substrate by hot pressing method with an aim to develop flexible sensor devices. Carbon nanotubes are synthesized by cold wall thermal chemical vapor deposition using patterned SiO{sub 2} substrate under low pressure. The height of the pattern of CNTs is controlled by reaction time. The entire growth and transfer process is carried out within 30 min. Strong adhesion between the nanotube and polyethylene terephthalate substrate was observed in the post-transferred case. Raman spectroscopy and scanning electron microscope (SEM) studies are used to analyze the microstructure of carbon nanotube film before and after hot pressing. This technique shows great potential for the fabrication of flexible sensing devices. We report for the first time, the application of patterned microstructure developed by this technique in the development of gas sensor and optoelectronic device. Surface resistive mode is used for detection of ammonia (NH{sub 3}) gas in the sub-ppm range. An impressive photoconducting response is also observed in the visible wavelength. The reproducibility of the sample was checked and the results indicate the possibility of use of carbon nanotube as gas sensor, photodetector, CCDs etc.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Fabrication and characterization of n-ZnO:Eu/p-ZnO:(Ag, N) homojunction by spray pyrolysis

Graphical abstract: In this paper authors report the fabrication of ZnO homojunction by the deposition of 2 at.% Eu doped ZnO (n-ZnO:Eu) layer grown over the 4 at.% Ag–N dual acceptor doped ZnO (p-ZnO:(Ag, N)) layer by spray pyrolysis technique. The as-grown n-type and p-type ZnO films on glass substrates have been characterized by Hall measurements, X-ray diffraction (XRD), energy dispersive spectroscopy (EDS), UV–vis and luminescence spectroscopy techniques. Hall measurement shows that 4 at.% ZnO:(Ag, N) film exhibits p-type conductivity with high hole concentration of 2.17 × 10{sup 18} cm{sup −3} and n-type conductivity is observed in the ZnO:Eu film. The current–voltage characteristics measured from the two-layer structure show typical rectifying characteristics of p–n homojunction with a low turn on voltage of about 1.85 V. I–V characteristics of the n-ZnO:Eu/p-ZnO:(Ag, N) homojunction. - Highlights: • The n-ZnO:Eu/p-ZnO:(Ag, N) homojunction is fabricated and characterized. • Low resistive and stable p-type ZnO films are achieved by dual acceptor-doping. • Homojunction with best dual-doped ZnO film shows good rectifying characteristics. • The fabricated ZnO homojunction is suitable for optoelectronic devices. - Abstract: In the present study, the authors report the fabrication of ZnO homojunction by the deposition of 2 at.% Eu doped ZnO (n-ZnO:Eu) layer grown over the 4 at.% Ag–N dual acceptor doped ZnO (p-ZnO:(Ag, N)) layer by spray pyrolysis technique. The as-grown n-type and p-type ZnO films on glass substrates have been characterized by Hall measurements, X-ray diffraction (XRD), energy dispersive spectroscopy (EDS), UV–vis and luminescence spectroscopy techniques. Hall measurement shows that 4 at.% ZnO:(Ag, N) film exhibits p-type conductivity with high hole concentration of 2.17 × 10{sup 18} cm{sup −3} and n-type conductivity is observed in the ZnO:Eu film. The current–voltage characteristics measured from the two-layer structure show typical rectifying characteristics of p–n homojunction with a low turn on voltage of about 1.85 V.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Synthesis, structure and optical studies of inorganic–organic hybrid semiconductor, (H{sub 3}NC{sub 6}H{sub 4}CH{sub 2}NH{sub 3}) PbI{sub 4}

Highlights: • New type of IO hybrid semiconductor has been synthesized and reported. • Inorganic (PbI{sub 4}){sup 2−} nano-ribbons are surrounded by organic entities. • Room-temperature optical exciton and charge-transfer features are reported. • Structural and optical mechanisms are useful in nanoscale electronic devices. - Abstract: Synthesis, structural and optical studies of inorganic–organic (IO) hybrid, 1,2-benzyldiammoniumtetraiodo plumbate (H{sub 3}NC{sub 6}H{sub 4}CH{sub 2}NH{sub 3}) PbI{sub 4} are presented. The titled compound crystallizes into triclinic system of P-1(2) space group with mutually surrounded inorganic (PbI{sub 4}){sup 2−} organic (C{sub 7}H{sub 12}N{sub 2}) entities. These one-dimensional IO hybrids are thermally stable up to 300 °C and show room-temperature exciton along with charge-transfer photoluminescence features. Structural and optical mechanisms are discussed for future applications in nanoscaled optoelectronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Low temperature and self catalytic growth of ultrafine ITO nanowires by electron beam evaporation method and their optical and electrical properties

Highlights: • ITO nanowires were grown by e-beam evaporation method. • ITO nanowires growth done at low substrate temperature of 350 °C. • Nanowires growth was carried out without use of catalyst and reactive oxygen gas. • Nanowires growth proceeds via self catalytic VLS growth. • Grown nanowires have diameter 10–20 nm and length 1–4 μm long. • ITO nanowire films have shown good antireflection property. - Abstract: We report the self catalytic growth of Sn-doped indium oxide (ITO) nanowires (NWs) over a large area glass and silicon substrates by electron beam evaporation method at low substrate temperatures of 250–400 °C. The ITO NWs growth was carried out without using an additional reactive oxygen gas and a metal catalyst particle. Ultrafine diameter (∼10–15 nm) and micron long ITO NWs growth was observed in a temperature window of 300–400 °C. Transmission electron microscope studies confirmed single crystalline nature of the NWs and energy dispersive spectroscopy studies on the NWs confirmed that the NWs growth proceeds via self catalytic vapor-liquid-solid (VLS) growth mechanism. ITO nanowire films grown on glass substrates at a substrate temperature of 300–400 °C have shown ∼2–6% reflection and ∼70–85% transmission in the visible region. Effect of deposition parameters was systematically investigated. The large area growth of ITO nanowire films would find potential applications in the optoelectronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Silver nanowire/polyaniline composite transparent electrode with improved surface properties

Highlights: • AgNWs/PANI transparent electrode was prepared by layer-by-layer coating method. • The surface roughness of the electrode reached to 6.5 nm (root mean square). • The electrode had reasonable sheet resistance (25 Ω/□) and transmittance (83.5%). - Abstract: Silver nanowires (AgNWs) are as potential candidates to replace indium tin oxide (ITO) in transparent electrodes because of their preferred conducting and optical properties. However, their rough surface properties are not favorable for the fabrication of optoelectronic devices, such as displays and thin-film solar cells. In the present investigation, AgNWs/polyaniline composite transparent electrodes with better surface properties were successfully prepared. AgNWs were incorporated into polyaniline:polystyrene sulfonate (PANI:PSS) by layer-by-layer coating and mechanical pressing. PANI:PSS decreased the surface roughness of the AgNWs electrode by filling the gap of the random AgNWs network. The transparent composite electrode had decreased surface roughness (root mean square 6.5 nm) with reasonable sheet resistance (25 Ω/□) and transmittance (83.5%)

36 MATERIALS SCIENCE↗
DOE OSTI2014

A facile route to synthesize CdZnSe core–shell-like alloyed quantum dots via cation exchange reaction in aqueous system

Highlights: • Water-soluble CdZnSe alloyed QDs synthesized by cation exchange reaction. • The as-prepared CdZnSe QDs have fairly good luminescence properties. • The surface defects of obtained QDs were removed due to the alloyed structure. - Abstract: Water-soluble CdZnSe alloyed nanocrystals have been successfully prepared via “green” cation exchange reaction in aqueous system. The X-ray diffraction (XRD) patterns indicate that the as-prepared nanocrystals had high crystallinity and small particle size of 4–5 nm. The absorption spectra of CdZnSe show red shift of 100 nm from 375 to 475 nm. Moreover, the band-gap photoluminescent (PL) emission has a red shift of 50 nm from 430 to 480 nm with the increase of the reaction time. On the basis of the PL properties and transmission electron microscopy (TEM) images, one kind of core–shell-like structure model was proposed, which resulted from the different cation exchange reaction rates. This structure could greatly improve the luminescence properties by the removal of surface defect of quantum dots. This work would support potential applications in optoelectronic devices, and biomedical tags fields.

36 MATERIALS SCIENCE↗