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At least 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Characterization of terbium containing cubic zirconia crystal for high power laser applications

A magneto-active terbium containing cubic zirconia crystal is an attractive material for creating Faraday isolators thanks to a high value of its Verdet constant and low absorption coefficient. The optical anisotropy parameter of this crystal which shows the distribution of orientations of the axes of thermally induced birefringence in a thermally loaded optical element has negative value. It means that there exists a dedicated orientation of crystallographic axes, at which the axes of thermally induced birefringence are arranged in the one direction and thermally induced depolarization may be reduced substantially. For assessing potential of this crystal for high-power applications we have investigated its temperature dependence of the Verdet constant that proved to correspond to the paramagnetic behavior. Thermo-optical characteristics are also of principal importance when operating with high-power laser radiation. We present results of measurements of thermo-optical characteristics Q and P which determines values of polarization and phase distortions of passing laser radiation. Measured values can be used to determine the characteristics of Faraday isolators based terbium containing cubic zirconia crystals in various implementations of their optical schemes for various parameters of laser radiation.

36 MATERIALS SCIENCE↗
DOE OSTI2015

SU-E-T-462: Impact of the Radiochromic Film Energy Response On Dose Measurements of Low Energy Electronic Brachytherapy Sources

Purpose: We investigated the effect of the EBT3 GafChromicTM film model absorbed dose energy response when used for percent depth dose (PDD) measurements in low-energy photon beams. Methods: We measured PDDs in water from a Xoft 50 kVp source using EBT3 film, and compared them to PDD measurements acquired with a PTW-TN34013 parallel-plate ionization chamber. For the x-ray source, we simulated spectra using the EGSnrc (BEAMnrc) Monte Carlo code, and calculated Half Value Layer (HVL) at different distances from the source in water. Pieces of EBT3 film were irradiated in air and calibration curves were created in terms of air-kerma in air ((Kair)air) for different beam qualities. Pieces of EBT3 film were positioned at distances of 2–6 cm from the Xoft source in a water phantom using a custom-made holder, and irradiated at the same time. As scatter is incorporated in the measured film signal in water, measured (Kair)wat was subsequently converted into absorbed dose to water by the ratio of mass energy absorption coefficients following the AAPM TG-61 dosimetry protocol. Results: Our results show that film calibration curves obtained at beam qualities near the effective energy of the Xoft 50 kVp source in water lead to variation in absorbed dose energy dependence of the response of around 3%. However, if the calibration curve was established at MV beam quality, the error in absorbed dose could be as large as 15%. We observed agreement within 1% between PDD measurements using EBT3 film model (using a calibration curve obtained at 80 kVp, HVL=2.18 mm Al, Eeff=29.5 keV) and the parallel-plate ionization chamber. Conclusion: Accurate dose measurements using radiochromic films at low photon energies require that the radiochromic film dosimetry system be calibrated at corresponding low energies, as large absorbed dose errors are expected for calibrations performed at MV beam qualities.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2013

Detailed photoluminescence studies of thin film Cu{sub 2}S for determination of quasi-Fermi level splitting and defect levels

We have studied chalcocite (Cu{sub 2}S) layers prepared by physical vapor deposition with varying deposition parameters by calibrated spectral photoluminescence (PL) and by confocal PL with lateral resolution of Δ x≈0.9 μm. Calibrated PL experiments as a function of temperature T and excitation fluxes were performed to obtain the absolute PL-yield and to calculate the splitting of the quasi-Fermi levels (QFLs) μ=E{sub f,n}−E{sub f,p} at an excitation flux equivalent to the AM 1.5 spectrum and the absorption coefficient α(ℏω), both in the temperature range of 20 K≤T≤400 K. The PL-spectra reveal two peaks at E{sub #1}=1.17 eV and E{sub #2}=1.3 eV. The samples show a QFL-splitting of μ>700 meV associated with a pseudo band gap of E{sub g}=1.25 eV. The high-energy peak shows an unexpected temperature behavior, namely, an increase of PL-yield with rising temperature at variance with the behavior of QFL-splitting that decreases with rising T. Our observations indicate that, contrary to common believe, it is not the PL-yield, but rather the QFL-splitting that is the comprehensive indicator of the quality of the excited state in an illuminated semiconductor. A further examination of the lateral variation of opto-electronic properties by confocal PL and the surface contour shows no detectable correlation between Cu{sub 2}S grains/grain boundaries and the PL-yield or QFL-splitting.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Modeling the electron cyclotron emission radiation signature from suprathermal electrons in a tokamak

An Electron Cyclotron Emission (ECE) modeling code has been developed to model ECE radiation with an arbitrary electron momentum distribution, a small oblique angle, both ordinary (O-mode) and extraordinary polarizations (X-mode), and multiple cyclotron frequency harmonics. The emission and absorption coefficients are calculated using the Poynting theorem from the cold plasma dispersion and the electron–microwave interaction from the full anti-Hermitian tensor. The modeling shows several ECE radiation signatures that can be used to diagnose the population of suprathermal electrons in a tokamak. First, in an n = 2 X-mode (X2) optically thick plasma and oblique ECE view, the modeling shows that only suprathermal electrons, which reside in a finite region of the velocity and space domains, can effectively generate cyclotron emissions to the ECE receiver. The code also finds that the O1 mode is sensitive to suprathermal electrons of both a high v ⊥ and v || , while the X2 mode is dominantly sensitive to suprathermal electrons of a high v ⊥ . Finally, the modeling shows that an oblique ECE system with both X/O polarization and a broad frequency coverage can be used to effectively yield information of the suprathermal electron population in a tokamak.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

TU-F-CAMPUS-I-02: Validation of a CT X-Ray Source Characterization Technique for Dose Computation Using An Anthropomorphic Thorax Phantom

Purpose: To experimentally validate a rotational kV x-ray source characterization technique by computing CT dose in an anthropomorphic thorax phantom using an in-house dose computation algorithm (kVDoseCalc). Methods: The lateral variation in incident energy spectra of a GE Optima big bore CT scanner was found by measuring the HVL along the internal, full bow-tie filter axis. The HVL and kVp were used to generate the x-ray spectra using Spektr software, while beam fluence was derived by dividing the integral product of the spectra and in-air mass-energy absorption coefficients by in-air dose measurements along the bow-tie filter axis. Beams produced by the GE Optima scanner were modeled at 80 and 140 kVp tube settings. kVDoseCalc calculates dose by solving the linear Boltzmann transport equation using a combination of deterministic and stochastic methods. Relative doses in an anthropomorphic thorax phantom (E2E SBRT Phantom) irradiated by the GE Optima scanner were measured using a (0.015 cc) PTW Freiburg ionization chamber, and compared to computations from kVDoseCalc. Results: The agreement in relative dose between dose computation and measurement for points of interest (POIs) within the primary path of the beam was within experimental uncertainty for both energies, however points outside the primary beam were not. The average absolute percent difference for POIs within the primary path of the beam was 1.37% and 5.16% for 80 and 140 kVp, respectively. The minimum and maximum absolute percent difference for both energies and all POIs within the primary path of the beam was 0.151% and 6.41%, respectively. Conclusion: The CT x-ray source characterization technique based on HVL measurements and kVp can be used to accurately compute CT dose in an anthropomorphic thorax phantom.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Mesoporous Carbon Nanospheres as a Multifunctional Carrier for Cancer Theranostics

Optical nanomaterials with intense absorption in near-infrared (NIR) region hold great promise for biomedical applications such as photothermal therapy (PTT) and photoacoustic imaging (PAI). In this work, we report mesoporous carbon nanospheres (Meso-CNs) with broadband and intense absorption in the UV–Vis–NIR region (300–1400 nm) and explore their potential as a multifunctional platform for photoacoustic imaging and chemo-photothermal therapy. Methods: Meso-CNs were prepared by a “silica-assisted” synthesis strategy and characterized by transmission electron microscope and optical spectroscopy. We investigated the photothermal conversion and photoacoustic imaging of Meso-CNs in comparison with single-walled carbon nanotubes (SWCNTs), graphene and gold nanorods (GNRs). In vitro cellular assays and in vivo chemo-photothermal combination therapy were performed. Results: The absorption coefficients of Meso-CNs are 1.5–2 times higher than those of SWCNTs and graphene and are comparable to those of GNRs in both the first and the second near-infrared optical windows (NIR-I and NIR-II) of tissues. When exposed to an NIR laser, the photothermal and photoacoustic signal generation of Meso-CNs are also stronger than those of SWCNTs, graphene, and GNRs. DOX was loaded into Meso-CNs with a high efficiency (35 wt%) owing to the unique mesoporous structure. Particularly, the drug release from Meso-CNs is sensitive to both pH and NIR light stimulation. In vivo chemo-photothermal combination therapy demonstrates a remarkable inhibition effect on tumor growth under NIR laser treatment. Conclusions: We have developed Meso-CNs for photothermal conversion and photoacoustic imaging. The porous structure also serves as a drug carrier and the drug release can be controlled by pH and external light. The high drug loading capacity, superior photothermal and photoacoustic generation, together with the apparent chemo-photothermal therapeutic effect, make Meso-CNs a promising platform for cancer theranostics.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Submodels of model of nonlinear diffusion in the inhomogeneous medium involving absorption

We study the five-parameter model, describing the process of nonlinear diffusion in an inhomogeneous medium in the presence of absorption, for which the differential equation of the model admits a continuous Lie group of transformations, acting on the set of its solutions. We found six submodels of the original model of nonlinear diffusion, with different symmetry properties. Of these six submodels, the five submodels with transient absorption, for which the absorption coefficient depends on time according to a power law, represent the greatest interest with a mathematical point of view and with the point of view of physical applications. For each of these nonlinear submodels, we obtained formulas for producing new solutions that contain arbitrary constants, and we found all invariant submodels. All essentially distinct invariant solutions describing these invariant submodels are found in an explicit form or are reduced to finding the solution of nonlinear integral equations. The presence of the arbitrary constants in the integral equations that determine these solutions provide new opportunities for analytical and numerical study of boundary value problems for the received submodels and, thus, for the original model of nonlinear diffusion. For the received invariant submodels, we studied diffusion processes for which at the initial moment of the time at a fixed point is specified as a concentration and its gradient or as a concentration and its velocity. Solving of boundary value problems describing these processes is reduced to the solving of nonlinear integral equations. We established the existence and uniqueness of solutions of these boundary value problems under some additional conditions. The obtained results can be used to study the diffusion of substances, diffusion of conduction electrons and other particles, diffusion of physical fields and propagation of heat in inhomogeneous medium, and also to study a turbulence (Leith model, differential approximation to wave turbulence)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Habitable Moist Atmospheres on Terrestrial Planets near the Inner Edge of the Habitable Zone around M Dwarfs

Terrestrial planets in the habitable zones (HZs) of low-mass stars and cool dwarfs have received significant scrutiny recently. Transit spectroscopy of such planets with the James Webb Space Telescope (JWST) represents our best shot at obtaining the spectrum of a habitable planet within the next decade. As these planets are likely tidally locked, improved 3D numerical simulations of such planetary atmospheres are needed to guide target selection. Here we use a 3D climate system model, updated with new water-vapor absorption coefficients derived from the HITRAN 2012 database, to study ocean-covered planets at the inner edge of the HZ around late M to mid-K stars (2600 K⩽T{sub eff}⩽4500 K). Our results indicate that these updated water-vapor coefficients result in significant warming compared to previous studies, so the inner HZ around M dwarfs is not as close as suggested by earlier work. Assuming synchronously rotating Earth-sized and Earth-mass planets with background 1 bar N{sub 2} atmospheres, we find that planets at the inner HZ of stars with T{sub eff}>3000 K undergo the classical “moist greenhouse” (H{sub 2}O mixing ratio >10{sup −3} in the stratosphere) at significantly lower surface temperature (∼280 K) in our 3D model compared with 1D climate models (∼340 K). This implies that some planets around low-mass stars can simultaneously undergo water loss and remain habitable. However, for stars with T{sub eff}⩽3000 K, planets at the inner HZ may directly transition to a runaway state, while bypassing the moist greenhouse water loss entirely. We analyze transmission spectra of planets in a moist greenhouse regime and find that there are several prominent H{sub 2}O features, including a broad feature between 5 and 8 μm, within JWST MIRI instrument range. Thus, relying only on standard Earth-analog spectra with 24 hr rotation period around M dwarfs for habitability studies will miss the strong H{sub 2}O features that one would expect to see on synchronously rotating planets around M dwarf stars, with JWST.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Study of the loss of xenon scintillation in xenon-trimethylamine mixtures

This work investigates the capability of TMA ((CH 3 ) 3 N) molecules to shift the wavelength of Xe VUV emission (160-188 nm) to a longer, more manageable, wavelength (260-350 nm). Light emitted from a Xe lamp was passed through a gas chamber filled with Xe-TMA mixtures at 800 Torr and detected with a photomultiplier tube. Using bandpass filters in the proper transmission ranges, no reemitted light was observed experimentally. Considering the detection limit of the experimental system, if reemission by TMA molecules occurs, it is below 0.3% of the scintillation absorbed in the 160-188 nm range. An absorption coefficient value for xenon VUV light by TMA of 0.43 ± 0.03 cm -1 Torr -1 was also obtained. These results can be especially important for experiments considering TMA as a molecular additive to Xe in large volume optical time projection chambers.

36 MATERIALS SCIENCE↗
DOE OSTI2018

A Highly Crystalline Fused‐Ring n‐Type Small Molecule for Non‐Fullerene Acceptor Based Organic Solar Cells and Field‐Effect Transistors

Abstract N‐type organic small molecules (SMs) are attracting attention in the organic electronics field, due to their easy purification procedures with high yield. However, only a few reports show SMs that perform well in both organic field‐effect transistors (OFETs) and organic solar cells (OSCs). Here, the synthesis and characterization of an n‐type small molecule with an indacenodithieno[3,2‐b]thiophene (IDTT) core unit and linear alkylated side chain (C 16 ) (IDTTIC) are reported. Compared to the state‐of‐the‐art n‐type molecule IDTIC, IDTTIC exhibits smaller optical bandgap and higher absorption coefficient, which is due to the enhanced intramolecular effect. After mixing with the polymer donor PBDB‐T, IDTIC‐based solar cells deliver a power conversion efficiency of only 5.67%. In stark contrast, the OSC performance of IDTTIC improves significantly to 11.2%. It is found that the superior photovoltaic properties of PBDB‐T:IDTTIC blends are mainly due to reduced trap‐assisted recombination and enhanced molecular packing coherence length and higher domain purity when compared to IDTIC. Moreover, a significantly higher electron mobility of 0.50 cm 2 V −1 s −1 for IDTTIC in OFET devices than for IDTIC (0.15 cm 2 V −1 s −1 ) is obtained. These superior performances in OSCs and OFETs demonstrate that SMs with extended π‐conjugation of the backbone possess a great potential for application in organic electronic devices.

Song, Xin↗
DOE OSTI2020

Printing 2D Conjugated Polymer Monolayers and Their Distinct Electronic Properties

Abstract Recently, 2D monolayer films of conjugated polymers have gained increasing attention owing to the preeminence of 2D inorganic films that exhibit unique optoelectronic and mechanical properties compared to their bulk analogs. Despite numerous efforts, crystallization of semiconducting polymers into highly ordered 2D monolayer films still remains challenging. Herein, a dynamic‐template‐assisted meniscus‐guided coating is utilized to fabricate continuous, highly ordered 2D monolayer films of conjugated polymers over a centimeter scale with enhanced backbone π–π stacking. In contrast, monolayer films printed on solid substrates confer upon the 1D fiber networks strong alkyl side‐chain stacking at the expense of backbone packing. From single‐layers to multilayers, the polymer π‐stacks change from edge‐on to bimodal orientation as the film thickness reaches ≈20 nm. Spectroscopic and cyclic voltammetry analysis reveals an abrupt increase in J‐aggregation and absorption coefficient and a decrease in bandgap and highest occupied molecular orbital level until critical thickness, possibly arising from the straightened polymer backbone. This is corroborated by an abrupt increase in hole mobility with film thickness, reaching a maximum of 0.7 cm 2 V −1 s −1 near the critical thickness. Finally, fabrication of chemical sensors incorporating polymer films of various thicknesses is demonstrated, and an ultrahigh sensitivity of the ≈7 nm thick ultrathin film (bilayers) to 1 ppb ammonia is shown.

Kafle, Prapti↗
DOE OSTI2025

Unusually Strong Near‐Infrared Photoluminescence of Highly Transparent Bulk InSe Flakes

Abstract Bulk γ‐InSe has a direct bandgap of 1.24 eV, which corresponds to near infrared wavelengths ( λ = 1.0 µm) useful in optoelectronic applications from biometric detectors to silicon photonics. However, its potential for optoelectronic applications is largely untapped due in part to the lack of quantitative studies of its optical properties. Here, the unusually low absorptance and high photoluminescence quantum efficiency of single‐crystalline InSe flakes with thickness in the hundreds of nanometers are studied. InSe emits brightly at room temperature from its direct bandgap with a peak photoluminescence quantum yield (PLQY) of 20%, despite displaying indirect bandgap like low absorption coefficient due to the symmetry of its crystal structure. By performing pump‐dependent PLQY measurements, the radiative and nonradiative recombination coefficients are extracted, including the Shockley‐Read‐Hall and Auger coefficients. Finally, a proof‐of‐concept alternating current electroluminescent device at low temperature is demonstrated to show the promise of InSe in optoelectronic technology such as highly transparent, bright NIR light sources.

Geng, Jamie↗
DOE OSTI2022

Development and Prospects of Halide Perovskite Single Crystal Films

Halide perovskite single crystal (HPSC) films have demonstrated extraordinary performance in solar cells, photodetectors, and lighting applications, owing to the high carrier mobility, long carrier diffusion length, tunable bandgap, and large light absorption coefficients of these materials. Here, the recent development of the major HPSC thin films is reviewed systematically, including MAPbI 3 , α-FAPbI 3 , MAPbBr 3 , CsPbBr 3 , with special emphasis on different classes of fabrication methods and thin-film characteristics. So finally, the conclusion and prospects in this field are discussed in detail. It is anticipated that the HPSC thin films will lead to a compelling future for the rising electronic applications.

MAPbI3↗
DOE OSTI2017

Progress in Theoretical Study of Metal Halide Perovskite Solar Cell Materials

Lead halide perovskites have recently emerged as promising absorbers for fabricating low-cost and high-efficiency thin-film solar cells. The record power conversion efficiency of lead halide perovskite-based solar cells has rapidly increased from 3.8% in 2009 to 22.1% in early 2016. Such rapid improvement is attributed to the superior and unique photovoltaic properties of lead halide perovskites, such as the extremely high optical absorption coefficients and super-long photogenerated carrier lifetimes and diffusion lengths that are not seen in any other polycrystalline thin-film solar cell materials. In the past a few years, theoretical approaches have been extensively applied to understand the fundamental mechanisms responsible for the superior photovoltaic properties of lead halide perovskites and have gained significant insights. Here, this review article highlights the important theoretical results reported in literature for the understanding of the unique structural, electronic, optical, and defect properties of lead halide perovskite materials. For comparison, we also review the theoretical results reported in literature for some lead-free perovskites, double perovskites, and nonperovskites.

14 SOLAR ENERGY↗
DOE OSTI2017

Effect of Alkylsilyl Side‐Chain Structure on Photovoltaic Properties of Conjugated Polymer Donors

Abstract Side‐chain engineering is an important strategy for optimizing photovoltaic properties of organic photovoltaic materials. In this work, the effect of alkylsilyl side‐chain structure on the photovoltaic properties of medium bandgap conjugated polymer donors is studied by synthesizing four new polymers J70 , J72 , J73 , and J74 on the basis of highly efficient polymer donor J71 by changing alkyl substituents of the alkylsilyl side chains of the polymers. And the photovoltaic properties of the five polymers are studied by fabricating polymer solar cells (PSCs) with the polymers as donor and an n‐type organic semiconductor (n‐OS) m ‐ITIC as acceptor. It is found that the shorter and linear alkylsilyl side chain could afford ordered molecular packing, stronger absorption coefficient, higher charge carrier mobility, thus results in higher J sc and fill factor values in the corresponding PSCs. While the polymers with longer or branched alkyl substituents in the trialkylsilyl group show lower‐lying highest occupied molecular orbital energy levels which leads to higher V oc of the PSCs. The PSCs based on J70 : m ‐ITIC and J71 : m ‐ITIC achieve power conversion efficiency (PCE) of 11.62 and 12.05%, respectively, which are among the top values of the PSCs reported in the literatures so far.

Bin, Haijun↗