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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 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Shaping the Infrared luminescence of Colloidal Nanocrystals Using a Dielectric Microcavity

As they have gained maturity, colloidal nanocrystals (NCs) have also expand the spectral range over of which they could be used for photonic and optoelectronic applications. In particular, the infrared use of NCs has become of utmost interest to develop cost-effective alternatives to current technologies. It is then critical not to let the material dictate the light–matter interaction, which is why the coupling of NCs to photonic cavities has been proposed. For infrared NCs, this approach has first been devoted to the control of absorption with in mind the increase of the signal magnitude for detectors. A Lot of efforts have been focused on the use of metallic metasurfaces. However, these generate significant optical losses and yield low quality factor. Here, this study rather focus on the coupling of infrared NCs to a dielectric mirror cavity. HgTe/CdS core-shell NCs are used and integrated into a cavity made of aperiodic dielectric mirrors. The effect of the substrate is systematically study on spectral linewidth, carrier dynamic, and emission directivity. The cavity is shown to narrow the PL by a factor 10, while focusing the emission over a 12° angle. Monitoring the power dependence of the emission, this study shows that the cavity leads to 250 K increase in the effective electronic temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Enhancing the Infrared Emission from Silver Chalcogenide Quantum Dots Through Microcavity Coupling

Nanocrystals (NCs) appear as a promising platform for cost effective infrared optoelectronics, while offering a simplified coupling to the CMOS platform. However, this perspective is slowed down by toxicity concerns, the most effective materials being based on Pb and Hg. There is currently a large effort to bring forth new platforms that are active in the infrared with a reduced heavy metal content. Here, in this study, the focus is on silver chalcogenides, which, thanks to a combination of inter‐ and intraband transitions, is suited to cover both short and mid wave infrared ranges. However, this material being less mature, the achieved photoluminescence (PL) appears quite broad, which is problematic for device integration. Here, it is demonstrated that a strong control over the PL spectrum can be obtained through integration into a dielectric cavity that magnifies the electric field by a factor 20 and narrows the PL full width at half maximum down to 15 nm for an emission at telecom wavelength. The PL is also highly directional to avoid most waveguiding effects which is of utmost interest for enhancing the efficiency of NC‐based light emitting diodes.

infrared luminescence↗
DOE OSTI2020

Evaporation due to infrared heating and natural convection

The results obtained from a drying experiment under infrared heating are compared to those obtained from correlations for the mass transfer coefficients, which are commonly used to obtain evaporation rates for drying applications. It was shown that the mass transfer coefficients evaluated by natural convection correlations are approximately ten times lower than those measured under infrared (IR) exposure. In this work, an attempt to explain this discrepancy, which has been also observed in other studies and explained on the basis of thermal radiation effects, optical properties of NMP are presented and the implications of the IR and near infrared (NIR) spectrum on the thermal radiation effects and ensuing evaporation rates are discussed. The results show that expected raise in the film temperature, which would be due to the thermal radiation effects, cannot be used to describe the measured evaporation rates for this solvent. Therefore, this study provides important evaporation mass flux data, which cannot be predicted using traditional correlations, for the design of IR assisted drying systems used in membrane fabrication.

42 ENGINEERING↗
DOE OSTI2019

An infrared and Raman spectroscopic study of PbSO4-anglesite at high pressures

Infrared and Raman spectra of the ABX 4 compound anglesite (PbSO 4 ) were collected to 43 GPa at 300 K in three separate pressure media. A major transition in the spectra initiates at 23 GPa that is characterized by shifting and/or splitting of most of the fundamental vibrations of the sulfate group. On decompression, PbSO 4 reverts to the ambient anglesite (barite) structure. This transition is kinetically impeded within more hydrostatic pressure media and does not proceed to completion within a neon medium even at pressures as high as 43 GPa. The previously observed spectral shift at 13 GPa occurs in less hydrostatic media (such as 4:1 methanol:ethanol), and involves subtle splitting of a few modes, particularly the (SO 4 ) 2- tetrahedral stretching and bending-derived Raman and infrared modes. Another possible shift occurs near 33 GPa, and primarily involves the appearance of new sulfate antisymmetric bending modes in the infrared spectrum and the onset of new sulfate antisymmetric stretching modes in the Raman spectrum. It is likely that PbSO 4 begins to convert sluggishly to the $P2_12_12_1$ ABX4 structure starting at 23 GPa, with a possible additional crystallographic distortion or shift in compression mechanism occurring near 33 GPa. The spectral shift at 13 GPa in non-hydrostatic media may be a differential stress-induced structural distortion, or a subtle transition that is not accessible within more hydrostatic media. Our results emphasize that apparently equilibrium transitions such as that at 23 GPa may be notably suppressed within more hydrostatic media.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Effect of Heat Treatment on Madagascar Dravite Tourmaline: UV-Visible and Diffuse Reflectance Infrared Spectroscopic Characterization

The color change and chemical behavior of Madagascar dravite when subjected to heating in air atmosphere were studied by energy-dispersive X-ray fluorescence spectrometry, UV-visible (UV-vis) spectroscopy and diffuse reflectance infrared Fourier transform (DRIFT) spectroscopy. Heat treatment was performed with temperatures of 500, 600, and 700°C for 2 h. Colors and color differences were measured and evaluated using CIELAB color measurement. The origin of color and its change after treatment are assessed via UV-vis spectra. The diffuse reflectance infrared spectra of the dravites revealed major absorption bands of OH, BO{sub 3}, Si{sub 6}O{sub 18}, and R–OH (where R = Fe, Mg). The variation of infrared spectra with increasing temperature indicates the deformation of R–OH bonds in an octahedron and, further, the deformation of BO{sub 3} and Si{sub 6}O{sub 18}. The results of color change may be utilized to enhance the color or clarity in dravite tourmaline and for generating satisfactory color.

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

Mathematical Model for the Emission Infrared Tomography of the Temperature Field in an Isotropic Layer

We consider a mathematical model for the determination of the temperature field in a layer that emits, absorbs, and scatters infrared radiation both in the volume and on the surface. Within the framework of the model, we formulate nonlinear direct and inverse problems of emission infrared tomography of the temperature field in the layer according to known space-and-angular distributions of the flows of infrared radiation emitted into the ambient medium. The iterative-variational methods are proposed for the solution of the indicated direct and inverse problems. As a specific example, we perform the numerical analysis of the developed algorithms.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Infrared nanoimaging and nanospectroscopy of electrochemical energy storage materials and interfaces

Electrochemical interfaces are central to the function and performance of energy storage devices. Thus, the development of new methods to characterize these interfaces, in conjunction with electrochemical performance, is essential for bridging the existing knowledge gaps and accelerating the development of energy storage technologies. Of particular need is the ability to characterize surfaces or interfaces in a non-destructive way with adequate resolution to discern individual structural and chemical building blocks. To this end, sub-diffraction-limit low-energy infrared optical probes that exploit near-field interactions within atomic force microscopy platforms, such as pseudoheterodyne nanoimaging, photothermal nanoimaging and nanospectroscopy, and nanoscale Fourier transform infrared spectroscopy, are all powerful emerging techniques. These are capable of non-destructive surface probing and imaging at nanometer resolution. This review outlines recent efforts to characterize ex situ, in situ, and operando electrode materials and electrochemical interfaces in rechargeable batteries with these advanced infrared near-field probes.

25 ENERGY STORAGE↗
DOE OSTI2025

Effect of threshold parameters on infrared segmentation methods for porosity detection in electron beam powder bed fusion

In-situ process monitoring has seen significant interest in additive manufacturing to address qualification and certification goals. This is especially prevalent in metal powder bed fusion processes such as electron beam powder bed fusion (PBF-EB), with layer-wise infrared imaging being commonly used to detect defects. Here, this work compares two different segmentation methods (static thresholding and statistical thresholding) used for detecting porosity from in-situ infrared imaging data for PBF-EB. Samples were manufactured at a variety of focus offset values to induce porosity. Then, the segmented infrared images were compared to ex-situ X-ray computed tomography scans, which served as a ground-truth reference for objective evaluation. Through this analysis framework, the influential parameters, static threshold and N-value (number of standard deviations above the mean pixel value), respectively, for both image segmentation methods were analyzed and compared for their effects on porosity detection. With optimal parameter settings, the two methods had similar porosity detection performance, but the statistical method performed better under a larger variety of parameter settings.

Infrared imaging↗
DOE OSTI2023

An infrared spectral database for gas-phase quantitation of volatile per- and polyfluoroalkyl substances (PFAS)

We report the construction of a database of vetted infrared spectra specifically targeting volatile fluorocarbon gases that may be emitted during thermal treatment of per- and polyfluoroalkyl substances (PFAS) to assist understanding of treatment processes and improve quantification. To populate this database, protocols derived from the Pacific Northwest National Laboratory (PNNL) infrared spectral database are used, curtailing the species selection for this data set. Each spectrum in the database is a weighted average derived from 10 or more individual measurements at different partial pressures (static method) or flow rates (dissemination method) to yield good fidelity of both strong and weak infrared signatures, with each composite spectrum ranging from = 6500 cm-1 to = 600 cm-1 with an apodized resolution of 0.112 cm-1. This resolution was chosen to fully resolve all spectral features, recognizing that atmospheric pressure broadening results in nearly all ro-vibrational lines having linewidths = 0.1 cm-1. As an example case, application of the database is demonstrated via identification and quantification of dominant 1H-perfluoroheptane and perfluorohept-1-ene fluorocarbon products resulting from thermal decomposition of perfluorooctanoate (PFOA) below 450 °C.

Infrared, Gas-phase spectra, FTIR, Spectral databa↗
DOE OSTI2017

Development of a new approach based on midwave infrared spectroscopy for post-consumer black plastic waste sorting in the recycling industry

Highlights: • MWIR reflectance contact measurements were performed on post-consumer waste. • MWIR absorptions are found to be potentially suitable for black plastic resin classification. • MWIR is also potentially suitable for separation of coloured plastic and wood based products. • Atmospheric transmittance simulations suggest feasibility of stand-off measurements. - Abstract: Waste sorting is key to the process of waste recycling. Exact identification of plastic resin and wood products using Near Infrared (NIR, 1–1.7 µm) sensing is currently in use. Yet, dark targets characterized by low reflectance, such as black plastics, are hard to identify by this method. Following the recent success of Midwave Infrared (MWIR, 3–12 µm) measurements to identify coloured plastic polymers, the aim of this study was to assess whether this technique is applicable to sorting black plastic polymers and wood products. We performed infrared reflectance contact measurements of 234 plastic samples and 29 samples of wood and paper products. Plastic samples included black, coloured and transparent Polyethylene Terephthalate (PET), Polyethylene (PE), Polyvinyl Chloride (PVC), Polypropylene (PP), Polylactic acid (PLA) and Polystyrene (PS). The spectral signatures of the black and coloured plastic samples were compared with clear plastic samples and signatures documented in the literature to identify the polymer spectral features in the presence of coloured material. This information was used to determine the spectral bands that best suit the sorting of black plastic polymers. The main NIR-MWIR absorption features of wood, cardboard and paper were identified as well according to the spectral measurements. Good agreement was found between our measurements and the absorption features documented in the literature. The new approach using MWIR spectral features appears to be useful for black plastics as it overcomes some of the limitations in the NIR region to identify them. The main limitation of this technique for industrial applications is the trade-off between the signal-to-noise ratio of the sensor operating in standoff mode and the speed at which waste is moved under the sensor. This limitation can be resolved by reducing the system’s spectral resolution to 16 cm{sup −1}, which allows for faster spectra acquisition while maintaining a reasonable signal-to-noise ratio.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Insight into the Chemistry of PETN Under Shock Compression Through Ultrafast Broadband Mid-Infrared Absorption Spectroscopy

In this study, thin films of pentaerythritol tetranitrate (PETN) were shock compressed using the laser driven shock apparatus at Los Alamos National Laboratory (LANL). Two spectroscopic probes were available to this apparatus: visible white light transient absorption spectroscopy (VIS) from 400 to 700 nm and mid-infrared transient absorption spectroscopy (MIR) from 1150 to 3800 cm –1 . Important PETN vibrational modes are the symmetric and antisymmetric NO 2 stretches at 1280 and 1650 cm –1 , respectively, as well as CH stretches at ~2900 cm –1 . Shock strength was varied from approximately 3 to 55 GPa to span from the chemically unreactive regime to the regime in which fast chemical reaction took place on the 250 ps time scale of the measurements. VIS and MIR results suggest irreversible chemistry was induced in PETN at pressures above 30 GPa. At lower shock pressures, the spectroscopy showed minimal changes attributable to pressure induced effects. Under the higher-pressure reactive conditions, the frequency region at the antisymmetric NO 2 stretch mode had a significantly increased absorption while the region around the symmetric NO 2 stretch did not. No observable increased absorption occurred in the higher frequency regions where CH-, NH-, and OH- bond absorptions would be observed. A broad absorption appeared on the shoulder at the red-edge of the CO 2 vibrational band around 2200 cm –1 . In addition to the experiments, reactive molecular dynamics were carried out under equivalent shock conditions to correlate the evolution of the infrared spectrum to molecular processes. The simulations show results consistent to experiments up to 30 GPa but suggest that NO and NO 2 related features provided the strongest contributions to the shocked infrared changes. Proposed mechanisms for shocked PETN chemistry are analyzed as consistent or inconsistent with the data presented here. Our experimental data suggests C≡O or N 2 O bond formation, nitrite formation, and absence of significant hydroxyl or amine concentrations in the initial chemistry steps in PETN shocked above 30 GPa.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Photodissociation and Infrared Spectroscopy of Uranium–Nitrogen Cation Complexes

Laser vaporization of uranium in a pulsed supersonic expansion of nitrogen is used to produce complexes of the form U + (N 2 ) n (n = 1–8). These ions are mass selected in a reflectron time-of-flight spectrometer and studied with visible and UV laser fixed-frequency photodissociation and with tunable infrared laser photodissociation spectroscopy. The dissociation patterns and spectroscopy of U + (N 2 ) n indicate that N 2 ligands are intact molecules and that there is no insertion chemistry resulting in UN + or NUN + . Fixed frequency photodissociation at 532 and 355 nm indicate that the U + –N 2 bond dissociation energy varies little with changing coordination. The photon energy and the number of ligands eliminated allow an estimate of the average U + –N 2 dissociation energy of 12 kcal/mol. Infrared bands are observed for these complexes near the N–N stretch vibration via elimination of N 2 molecules. These resonances are observed to be shifted about 130 cm–1 to the red from the free-N 2 frequency for complexes with n = 3–8. Density functional theory indicates that U + is most stable in the sextet state in these complexes and that N 2 molecules bind in end-on configurations. Furthermore, the fully coordinated complex is predicted to be U + (N 2 ) 8 , which has a cubic structure. The vibrational frequencies predicted by theory are consistently lower than those in the experiment, independent of the isomeric structure or spin state of the complexes. Despite its failure to reproduce the infrared spectra, theory provides an average U + –N 2 dissociation energy of 11.8 ± 0.5 kcal/mol, in good agreement with the value from the experiments.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Intersubband Transitions in Lead Halide Perovskite-Based Quantum Wells for Mid-Infrared Detectors

Due to their excellent optical and electrical properties as well as versatile growth and fabrication processes, lead halide perovskites have been widely considered as promising candidates for green energy and applications related to optoelectronics. Here, we investigate their potential applications at infrared wavelengths by modeling the intersubband transitions in perovskite-based quantum well systems. Both single-well and double-well structures are studied, and their energy levels as well as the corresponding wave functions and intersubband transition energies are calculated by solving the one-dimensional Schrödinger equations. Via adjustment of the quantum well and barrier thicknesses, the intersubband transition energies can be tuned to cover a broad infrared wavelength range. We also find that the lead halide perovskite-based quantum wells possess high absorption coefficients. In conclusion, the widely tunable transition energies and high absorption coefficients of the perovskite-based quantum well systems, combined with their unique material and electrical properties, may enable an alternative material system for infrared photodetector applications.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2017

Mid-Wave Infrared Photoconductors Based on Black Phosphorus-Arsenic Alloys

Black phosphorus (b-P) and more recently black phosphorus-arsenic alloys (b-PAs) are candidate 2D materials for the detection of mid-wave and potentially long-wave infrared radiation. However, studies to date have utilized laser-based measurements to extract device performance and the responsivity of these detectors. As such, their performance under thermal radiation and spectral response has not been fully characterized. In this work, we perform a systematic investigation of gated-photoconductors based on b-PAs alloys as a function of thickness over the composition range of 0-91% As. Infrared transmission and reflection measurements are performed to determine the bandgap of the various compositions. The spectrally resolved photoresponse for various compositions in this material system is investigated to confirm absorption measurements, and we find that the cutoff wavelength can be tuned from 3.9 to 4.6 μm over the studied compositional range. In addition, we investigated the temperature-dependent photoresponse and performed calibrated responsivity measurements using blackbody flood illumination. Notably, we find that the specific detectivity (D*) can be optimized by adjusting the thickness of the b-P/b-PAs layer to maximize absorption and minimize dark current. We obtain a peak D* of 6 × 10 10 cm Hz 1/2 W -1 and 2.4 × 1010 cm Hz 1/2 W -1 for pure b-P and b-PAs (91% As), respectively, at room temperature, which is an order of magnitude higher than commercially available mid-wave infrared detectors operating at room temperature.

2D materials↗
DOE OSTI2017

Fiber-Coupled Substrate-Integrated Hollow Waveguides: An Innovative Approach to Mid-infrared Remote Gas Sensors

Here, in this study, an innovative approach based on fiberoptically coupled substrate-integrated hollow waveguide (iHWG) gas cells for the analysis of low sample volumes suitable for remote broad- and narrow-band mid-infrared (MIR; 2.5–20 μm) sensing applications is reported. The feasibility of remotely addressing iHWG gas cells, configured in a double-pass geometry via a reflector, by direct coupling to a 7-around-1 mid-infrared fiber bundle is demonstrated, facilitating low-level hydrocarbon gas analysis. For comparison studies, two iHWGs with substrate dimensions of 50 × 50 × 12 mm (L × W × H) and geometric channel lengths of 138 and 58.5 mm, serving as miniature light-guiding gas cells, were fiber-coupled to a Fourier transform infrared spectrometer enabling broadband MIR sensing. In addition to the fundamental feasibility of this concept, the achievable sensitivity toward several gaseous hydrocarbons and the reproducibility of assembling the fiber-iHWG interface were investigated.

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

Surface-Functionalized, Two-Dimensional Polymer Electrochromic Layers as Ultrafast, Multi-State Infrared Optical Gates

Electrochromic devices have widespread application potential, but the currently available switching speeds limit broad real-world implementation of this technology. Here, we report surface-engineered two-dimensional polymers with ionophilic pores that offer unprecedented switching speeds in solid-state, two-terminal, electrochromic devices. In particular, we demonstrate that a crystalline donor–acceptor 2DP functionalized with ethylene glycol oligomers exhibits multistate infrared absorption that is 4× faster (t c = 320 ms) with 3× coloration efficiency (491 cm 2 C –1 ) compared to an alkyl functionalized 2DP constructed from the same chromophores. The functionalized nanoporous surfaces enable rapid switching in these materials under either oxidative or reductive conditions, allowing us to access a range of robust, stable optical responses in a single electrochromic layer. These attributes led us to leverage surface-functionalized 2DPs as multistate infrared logic gates. Collectively, this work demonstrates that surface engineering of nanoporous crystalline lattices is a promising approach to co-optimize the electronic and ionic conductivities required to achieve rapidly switchable electrochromic layers. Beyond speed and efficiency, the demonstration of multistate infrared characteristics shows that electrochromic frameworks are useful in integrated optoelectronic circuits. This positions surface-engineered 2DPs as improved electrochromic coatings and a new material platform for photonic information processing and adaptive devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Detecting Sub-Micron Space Weathering Effects in Lunar Grains With Synchrotron Infrared Nanospectroscopy

Space weathering processes induce changes to the physical, chemical, and optical properties of space-exposed soil grains. For the Moon, space weathering causes reddening, darkening, and diminished contrast in reflectance spectra over visible and near-infrared wavelengths. The physical and chemical changes responsible for these optical effects occur on scales below the diffraction limit of traditional far-field spectroscopic techniques. Recently developed super-resolution spectroscopic techniques provide an opportunity to understand better the optical effects of space weathering on the sub-micrometer length scale. This paper uses synchrotron infrared nanospectroscopy to examine depth-profile samples from two mature lunar soils in the mid-infrared, 1,500 –700 cm -1 (6.7–14.3 μm). Overall, our findings are broadly consistent with prior bulk observations and theoretical models of space weathered spectra of lunar materials. These results provide a direct spatial link between the physical/chemical changes in space-exposed grain surfaces and spectral changes of space weathered bodies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Ultrafast infrared nano-imaging of far-from-equilibrium carrier and vibrational dynamics

Ultrafast infrared nano-imaging has demonstrated access to ultrafast carrier dynamics on the nanoscale in semiconductor, correlated-electron, or polaritonic materials. However, mostly limited to short-lived transient states, the contrast obtained has remained insufficient to probe important long-lived excitations, which arise from many-body interactions induced by strong perturbation among carriers, lattice phonons, or molecular vibrations. Here, we demonstrate ultrafast infrared nano-imaging based on excitation modulation and sideband detection to characterize electron and vibration dynamics with nano- to micro-second lifetimes. As an exemplary application to quantum materials, in phase-resolved ultrafast nano-imaging of the photoinduced insulator-to-metal transition in vanadium dioxide, a distinct transient nano-domain behavior is quantified. In another application to lead halide perovskites, transient vibrational nano-FTIR spatially resolves the excited-state polaron-cation coupling underlying the photovoltaic response. These examples show how heterodyne pump-probe nano-spectroscopy with low-repetition excitation extends ultrafast infrared nano-imaging to probe elementary processes in quantum and molecular materials in space and time.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗