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NASA NTRS2004

Parameterization of the Vertical Variability of Tropical Cirrus Cloud Microphysical and Optical Properties

Cloud Integrating Nephelometers (CIN) were flown on the U. North Dakota Citation aircraft and the NASA WB-57 aircraft for the purpose of measuring in-situ the optical extinction coefficient and the asymmetry parameter (g) at a wavelength of 635 nm of primarily ice particles encountered during the NASA CRYSTAL-FACE study of large cumulus clouds (Cu) and their anvils found in the southern Florida region. The probes performance was largely successful and produced archived data for vertical profiles of extinction, asymmetry parameter, and effective radius (Re), the latter being obtained by combining CIN and CVI (total water; Oregon State U.) measurements. Composites of the CIN and CVI data describing the average microphysical and optical behavior of the Cu and their anvils showed the following: The extinction increases with height as a result of the size of the particles also decreasing with height as shown by the Re measurements; near the top of anvils the size of the primary ice particles is about 10-um radius; and the value of g does not vary significantly with height and has a mean value of about 0.73 consistent with the idea that ambient ice crystals are primarily of complex shape and reflect solar radiation more efficiently than particles of pristine crystal shape. Other observations include: The g measurements were found to be an indicator of the phase of the cloud permitting identification of the clouds with water droplets, rain, and ice; visual ranges as small as several tens of meters were occasionally found in "extinction cores" that coincided with strong updraft cores; and comparison of the cloud probes on the Citation showed significant disagreement.

Gerber, Hermann E.↗

NASA NTRS2012

Linear Estimation of Particle Bulk Parameters from Multi-Wavelength Lidar Measurements

An algorithm for linear estimation of aerosol bulk properties such as particle volume, effective radius and complex refractive index from multiwavelength lidar measurements is presented. The approach uses the fact that the total aerosol concentration can well be approximated as a linear combination of aerosol characteristics measured by multiwavelength lidar. Therefore, the aerosol concentration can be estimated from lidar measurements without the need to derive the size distribution, which entails more sophisticated procedures. The definition of the coefficients required for the linear estimates is based on an expansion of the particle size distribution in terms of the measurement kernels. Once the coefficients are established, the approach permits fast retrieval of aerosol bulk properties when compared with the full regularization technique. In addition, the straightforward estimation of bulk properties stabilizes the inversion making it more resistant to noise in the optical data. Numerical tests demonstrate that for data sets containing three aerosol backscattering and two extinction coefficients (so called 3 + 2 ) the uncertainties in the retrieval of particle volume and surface area are below 45% when input data random uncertainties are below 20 %. Moreover, using linear estimates allows reliable retrievals even when the number of input data is reduced. To evaluate the approach, the results obtained using this technique are compared with those based on the previously developed full inversion scheme that relies on the regularization procedure. Both techniques were applied to the data measured by multiwavelength lidar at NASA/GSFC. The results obtained with both methods using the same observations are in good agreement. At the same time, the high speed of the retrieval using linear estimates makes the method preferable for generating aerosol information from extended lidar observations. To demonstrate the efficiency of the method, an extended time series of observations acquired in Turkey in May 2010 was processed using the linear estimates technique permitting, for what we believe to be the first time, temporal-height distributions of particle parameters.

linear estimation↗

DOE OSTI2023

Hierarchical Modeling to Enhance Spectrophotometry Measurements—Overcoming Dynamic Range Limitations for Remote Monitoring of Neptunium

A robust hierarchical model has been demonstrated for monitoring a wide range of neptunium concentrations (0.75–890 mM) and varying temperatures (10–80 °C) using chemometrics and feature selection. The visible–near infrared electronic absorption spectrum (400–1700 nm) of monocharged neptunyl dioxocation (Np(V) = NpO2+) includes many bands, which have molar absorption coefficients that differ by nearly 2 orders of magnitude. The shape, position, and intensity of these bands differ with chemical interactions and changing temperature. These challenges make traditional quantification by univariate methods unfeasible. Measuring Np(V) concentration over several orders of magnitude would typically necessitate cells with varying path length, optical switches, and/or multiple spectrophotometers. Alternatively, the differences in the molar extinction coefficients for multiple absorption bands can be used to quantify Np(V) concentration over 3 orders of magnitude with a single optical path length (1 mm) and a hierarchical multivariate model. In this work, principal component analysis was used to distinguish the concentration regime of the sample, directing it to the relevant partial least squares regression submodels. Each submodel was optimized with unique feature selection filters that were selected by a genetic algorithm to enhance predictions. Through this approach, the percent root mean square error of prediction values were ≤1.05% for Np(V) concentrations and ≤4% for temperatures. This approach may be applied to other nuclear fuel cycle and environmental applications requiring real-time spectroscopic measurements over a wide range of conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1978

Atmospheric effects on CO2 laser propagation

An investigation was made of the losses encountered in the propagation of CO2 laser radiation through the atmosphere, particularly as it applies to the NASA/Marshall Space Flight Center Pulsed Laser Doppler System. As such it addresses three major areas associated with signal loss: molecular absorption, refractive index changes in a turbulent environment, and aerosol absorption and scattering. In particular, the molecular absorption coefficients of carbon dioxide, water vapor, and nitrous oxide are calculated for various laser lines in the region of 10.6 mu m as a function of various pressures and temperatures. The current status in the physics of low-energy laser propagation through a turbulent atmosphere is presented together with the analysis and evaluation of the associated heterodyne signal power loss. Finally, aerosol backscatter and extinction coefficients are calculated for various aerosol distributions and the results incorporated into the signal-to-noise ratio equation for the Marshall Space Flight Center system.

Murty, S. S. R.↗

NASA NTRS1992

Lidar multiple scattering: Dependence on atmospheric parameters

Backscatter lidars are very useful tools in gaining information about the atmosphere. Inversion of backscatter signals can be used to retrieve the spatial distribution of clouds and aerosols, e.g., vertical extensions of clouds and aerosol layers, detection of 'subvisible' cirrus, etc., very accurately compared to passive radiometers. To retrieve extinction coefficient profiles, in general, the so-called lidar equation is solved. This equation describes a laser pulse which propagates through an atmosphere with transmission exp(- integral of sigma(z')dz'), which is scattered singly under 180 degrees towards a receiver, and which is attenuated on its way back again by exp(- integral of sigma(z')dz'). For inversion, further information on optical properties of the scatterers are required (extinction to backscatter ratio). However, it is evident that, at least for optically thick clouds and/or large receiver's field-of-views, this approach may be erroneous because of multiply scattered photons. Several studies were performed to simulate multiple scattering in case of collimated beams or pulses including Monte Carlo, transport, and diffusion theory. Unfortunately, most of the approaches require an enormous amount of computer time. Thus, it is meaningful to elaborate approximate methods, and one such method is discussed. Our method is based on Bissonnett (1988). We have improved the numerical simulation of limited field-of-view detectors, and compared the results to Monte Carlo calculations and an exact model of Altmann (1989).

Wiegner, Matthias↗

NASA NTRS2020

Variability of Lidar-Derived Particle Properties Over West Africa Due to Changes in Absorption: Towards an Understanding

Measurements performed in western Africa (Senegal) during the SHADOW field campaign are analyzed to show that spectral dependence of the imaginary part of the complex refractive index (CRI) of dust can be revealed by lidar-measured particle parameters. Observations in April 2015 provide good opportunity for such study, because, due to high optical depth of the dust, exceeding 0.5, the extinction coefficient could be derived from lidar measurements with high accuracy and the contribution of other aerosol types, such as biomass burning, was negligible. For instance, in the second half of April 2015, AERONET observations demonstrated a temporal decrease in the imaginary part of the CRI at 440 nm from approximately 0.0045 to 0.0025. This decrease is in line with a change in the relationship between the lidar ratios (the extinction-to-backscattering ratio) at 355 and 532 nm (S(355) and S(532)). For instance in the first half of April, S(355)∕S(532) is as high as 1.5 and the backscatter Angstrom exponent, A(β), is as low as −0.75, while after 15 April S(355)/S(532)=1.0 and A(β) is close to zero. The aerosol depolarization ratio δ(532) for the whole of April exceeded 30 % in the height range considered, implying that no other aerosol, except dust, occurred. The performed modeling confirmed that the observed S(355)∕S(532) and Aβ values match the spectrally dependent imaginary part of the refractive index as can be expected for mineral dust containing iron oxides. The second phase of the SHADOW campaign was focused on evaluation of the lidar ratio of smoke and estimates of its dependence on relative humidity (RH). For five studied smoke episodes the lidar ratio increases from 44±5 to 66±7 sr at 532 nm and from 62±6 to 80±8 sr at 355 nm, when RH varied from 25 % to 85 %. Performed numerical simulations demonstrate that observed ratio S(355)∕S(532), exceeding 1.0 in the smoke plumes, can indicate an increase in the imaginary part of the smoke particles in the ultraviolet (UV) range.

Lidar-Derived Particle Properties↗

DOE OSTI2025

Explosive Soot Challenge (Final Report)

This project assembled a broad ensemble of modeling and experimentation tools to study the morphological and optical properties of detonation soots in explosive fireballs. A gram-scale hemispherical high explosive was studied in a low-pressure controlled environment using in-situ experimentation with diffusely illuminated visible absorption spectroscopy, particle sizing through light scattering techniques, and post-test collections with subsequent morphological analysis. Hydrocode modeling was performed to replicate the detonation flow observations, and subsequent aerosol kinetics models provided particle size distributions and extinction coefficients from the hydrocode results. Experimentally observed soot morphologies agreed with expectation from the literature - a bimodal distribution was found, brought upon by the particles growing to a size where their inertia and fluid wakes are non-negligible. The aerosol kinetics model did not replicate the observed bimodal size distribution for lack of a coagulation kernel to represent the behavior. To recover particulate optical properties, a spectrally resolved absorption spectroscopy method termed Spectral diffuse back-illuminated extinction imaging (SBI-EI) was developed and implemented on two explosive types. Inverting the absorption spectra using a Kramers-Kronig consistent method yielded the complex index of refraction for the soots produced by the explosives. This method resulted in an unrealistic index of refraction for one of the two explosives, and this is suspected to be due to the model neglecting scattering brought upon by the large particle sizes observed. In addition to the core work, three additional studies were performed in parallel. These investigated the impact of scattering on diffuse absorption spectroscopy, studied how soots oxidate and sublimate in a well-controlled shock tube, and laid the theoretical groundwork for a new collision kernel to replicate the bimodal size distribution from the observations. Summaries of these efforts are included at the end of this report.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

NASA NTRS1992

Determining water cloud particle sizes from lidar depolarization measurements and time dependent multiple scattering coefficients

We present a technique of extracting water cloud particle size information from lidar measurements in conjunction with double scattering calculations. In this presentation, we describe the technique and give examples using data taken with the Air Force Phillips Laboratory's (Geophysics Directorate) low altitude Nd:YAG, elastic backscatter lidar. In a related presentation we describe the double scattering lidar model which we developed for this work. The technique uses simultaneous measurements of two orthogonal linear polarization components of lidar returns from water clouds or other media composed of spherical particles. Any depolarization of the incident lidar radiation backscattered by such a media can only be due to multiple scattering. The amount of depolarization is dependent on the extinction coefficient and the single scatter phase matrix, both of which are functions of position in the medium. The phase matrix is dependent on the index of refraction of the particles and the particle size distribution. Our technique is a modification of a procedure presented in Reference 1. There, particle sizes of water clouds are determined from double scattering calculations together with measurements of radiation scattered from volumes outside the lidar receiver's field of view (which can only be multiply scattered radiation). The methodology of our technique is similar but our 'probe' of the scattering phase function (and thus the particle size distribution) is different.

Garner, R. C.↗

NASA NTRS1989

SAGE II aerosol validation - Selected altitude measurements, including particle micromeasurements

The validity of particulate extinction coefficients derived from limb path solar radiance measurements obtained during the Stratospheric Aerosol and Gas Experiment (SAGE) II is tested. The SAGE II measurements are compared with correlative aerosol measurements taken during January 1985, August 1985, and July 1986 with impactors, laser spectrometers, and filter samplers on a U-2 aircraft, an upward pointing lidar on a P-3 aircraft, and balloon-borne optical particle counters. The data for July 29, 1986 are discussed in detail. The aerosol measurements taken on this day at an altitude of 20.5 km produce particulate extinction values which validate the SAGE II values for similar wavelengths.

Oberbeck, Verne R.↗

NASA NTRSDate not supplied

Quantifying Uncertainty in Particle Size Distribution Parameters Inferred from SAGE III/ISS Extinction Spectra

Stratospheric aerosols play key roles in the chemistry and radiation balance of the atmosphere and are a key input parameter for global chemistry and climate models. The degree to which aerosols impact chemistry and radiation balance depends primarily on their microphysical properties such as particle size distribution (PSD). The PSD is a mathematical description of the relative abundance of different sized particles within a sampling volume. If the PSD is accurately known then other key modeling parameters (e.g., surface area density) can be derived. Occultation observations from orbital instruments such as SAGE III/ISS have been used to infer these PSD parameters by inverting the extinction coefficient spectra. However, past efforts failed to address two key issues with this methodology: 1. The measurement uncertainty was not accounted for; 2. They assumed the PSDs to be single-mode only, while “real-world” PSDs are predominantly bi-modal. Accounting for both issues in the retrieval will yield an expanded solution space to the inferred PSD parameters; the question is “by how much?” To address this knowledge gap, we propose to carry out a series of simulations and, for every valid SAGE III/ISS data point, determine the range of PSD parameters that yield extinction spectra that are indistinguishable from the SAGE III/ISS data, within the limits of the reported uncertainty. Further, we will expand the solution space, for the first time, to include bimodal distributions. The results of this work will advance Earth system modeling/prediction capability through identifying the uncertainty of PSD parameter estimates using SAGE III/ISS data. The key benefits of this study over previous studies are twofold: 1. we will provide PSD estimates that include bimodal distributions in the solution space, 2. we will provide an uncertainty estimate for these parameters. The results of this study may be used directly in current and future climate and chemistry models.

SAGE III/ISS↗

NASA NTRS2010

LASE Measurements of Water Vapor, Aerosol, and Cloud Distributions in Saharan Air Layers and Tropical Disturbances

LASE (Lidar Atmospheric Sensing Experiment) on-board the NASA DC-8 measured high resolution profiles of water vapor and aerosols, and cloud distributions in 14 flights over the eastern North Atlantic during the NAMMA (NASA African Monsoon Multidisciplinary Analyses) field experiment. These measurements were used to study African easterly waves (AEWs), tropical cyclones (TCs), and the Saharan Air Layer(s) (SAL). Interactions between the SAL and tropical air were observed during the early stages of the TC development. These LASE measurements represent the first simultaneous water vapor and aerosol lidar measurements to study the SAL and its impact on AEWs and TCs. Examples of profile measurements of aerosol scattering ratios, aerosol extinction coefficients, aerosol optical thickness, water vapor mixing ratios, RH, and temperature are presented to illustrate their characteristics in SAL, convection, and clear air regions. LASE data suggest that the SAL suppresses low-altitude convection at the convection-SAL interface region. Mid-level convection associated with the AEW and transport are likely responsible for high water vapor content observed in the southern regions of the SAL on August 20, 2008. This interaction is responsible for the transfer of about 7 x 10(exp 15) J latent heat energy within a day to the SAL. Measurements of lidar extinction-to-backscatter ratios in the range 36+/-5 to 45+/-5 are within the range of measurements from other lidar measurements of dust. LASE aerosol extinction and water vapor profiles are validated by comparison with onboard in situ aerosol measurements and GPS dropsonde water vapor soundings, respectively.

Ismail, Syed↗

DOE OSTI2023

Stoichiometric Control and Optical Properties of BaTiO 3 Thin Films Grown by Hybrid MBE

BaTiO 3 is a technologically relevant material in the perovskite oxide class with above-room-temperature ferroelectricity and a very large electro-optical coefficient, making it highly suitable for emerging electronic and photonic devices. An easy, robust, straightforward, and scalable growth method is required to synthesize epitaxial BaTiO 3 thin films with sufficient control over the film's stoichiometry to achieve reproducible thin film properties. Here the growth of BaTiO 3 thin films by hybrid molecular beam epitaxy is reported. A self-regulated growth window is identified using complementary information obtained from reflection high energy electron diffraction, the intrinsic film lattice parameter, film surface morphology, and scanning transmission electron microscopy. Subsequent optical characterization of the BaTiO 3 films by spectroscopic ellipsometry revealed refractive index and extinction coefficient values closely resembling those of stoichiometric bulk BaTiO 3 crystals for films grown inside the growth window. Even in the absence of a lattice parameter change of BaTiO 3 thin films, degradation of optical properties is observed, accompanied by the appearance of a wide optical absorption peak in the IR spectrum, attributed to optical transitions involving defect states present. Therefore, the optical properties of BaTiO 3 can be utilized as a much finer and more straightforward probe to determine the stoichiometry level present in BaTiO 3 films.

36 MATERIALS SCIENCE↗

NASA NTRS2017

Vertical Structure and Optical Properties of Titans Aerosols from Radiance Measurements Made Inside and Outside the Atmosphere

Prompted by the detection of stratospheric cloud layers by Cassini's Composite Infrared Spectrometer (CIRS; see Anderson, C.M., Samuelson, R.E. [2011]. Icarus 212, 762-778), we have re-examined the observations made by the Descent Imager/Spectral Radiometer (DISR) in the atmosphere of Titan together with two constraints from measurements made outside the atmosphere. No evidence of thin layers (<1 km) in the DISR image data sets is seen beyond the three previously reported layers at 21 km, 11 km, and 7 km by Karkoschka and Tomasko (Karkoschka, E., Tomasko, M.G. [2009]. Icarus 199, 442-448). On the other hand, there is evidence of a thicker layer centered at about 55 km. A rise in radiance gradients in the Downward-Looking Visible Spectrometer (DLVS) data below 55 km indicates an increase in the volume extinction coefficient near this altitude. To fit the geometric albedo measured from outside the atmosphere the decrease in the single scattering albedo of Titan's aerosols at high altitudes, noted in earlier studies of DISR data, must continue to much higher altitudes. The altitude of Titan's limb as a function of wavelength requires that the scale height of the aerosols decrease with altitude from the 65 km value seen in the DISR observations below 140 km to the 45 km value at higher altitudes. We compared the variation of radiance with nadir angle observed in the DISR images to improve our aerosol model. Our new aerosol model fits the altitude and wavelength variations of the observations at small and intermediate nadir angles but not for large nadir angles, indicating an effect that is not reproduced by our radiative transfer model. The volume extinction profiles are modeled by continuous functions except near the enhancement level near 55 km altitude. The wavelength dependence of the extinction optical depth is similar to earlier results at wavelengths from 500 to 700 nm, but is smaller at shorter wavelengths and larger toward longer wavelengths. A Hapke-like model is used for the ground reflectivity, and the variation of the Hapke single scattering albedo with wavelength is given. Fits to the visible spectrometers looking upward and downward are achieved except in the methane bands longward of 720 nm. This is possibly due to uncertainties in extrapolation of laboratory measurements from 1 km-am paths to much longer paths at lower pressures. It could also be due to changes in the single scattering phase functions at low altitudes, which strongly affect the path length through methane that the photons travel. We demonstrate the effects on the model fits by varying each model parameter individually in order to illustrate the sensitivity of our determination of each model parameter.

Titan↗

NASA NTRS1995

An Analysis of Neptune's Stratospheric Haze Using High-Phase-Angle Voyager Images

We have inverted high-phase-angle Voyager images of Neptune to determine the atmospheric extinction coefficient as a function of altitude and the scattering phase function at a reference altitude. Comparisons between theoretical model and observations help separate the contributions from molecular Rayleigh and aerosol scattering and help determine the variation of the aerosol size, concentration, and scattering properties with altitude. Further comparisons between models and data allow us to place constraints on the location and composition of the hazes, the concentration and downward flux of certain condensible hydrocarbon gases, the eddy diffusion coefficient in the lower stratosphere, and the thermal profile in parts of Neptune's stratosphere. We find that a distinct stratospheric haze layer exists near 12(sub -1, sup +1) mbar in Neptune's lower stratosphere, most probably due to condensed ethane. The derived stratospheric haze production rate of 1.0(sub -0.3, sup +0.2) x 10(exp -15) g cm(exp -2) sec(exp -1) is substantially lower than photochemical model predictions. Evidence for hazes at higher altitudes also exists. Unlike the situation on Uranus, large particles (0.08-0.11 microns) may be present at high altitudes on Neptune (e.g., near 0.5 mbar), well above the region in which we expect the major hydrocarbon species to condense. Near 28 mbar, the mean particle size is about 0.13(sub -0.02, sup +0.02) microns with a concentration of 5(sub -3, sup +3) particles cm(exp -3). The cumulative haze extinction optical depth above 15 mbar in the clear filter is approx. 3 x 10(exp -3), and much of this extinction is due to scattering rather than absorption; thus, if our limb-scan sites are typical, the hazes cannot account for the stratospheric temperature inversion on Neptune and may not contribute significantly to atmospheric heating. We compare the imaging results with the results from other observations, including those of the Voyager Photopolarimeter Subsystem, and discuss differences between Neptune and Uranus.

Moses, Julianne I.↗

NASA NTRS2004

Vertical Profiles of Aerosol Volume from High Spectral Resolution Infrared Transmission Measurements: Results

The high-resolution infrared absorption spectra of the Atmospheric Trace Molecule Spectroscopy (ATMOS) experiment are utilized to derive vertical profiles of sulfate aerosol volume density and extinction coefficient. Following the eruption of Mt. Pinatubo in June 1991, the ATMOS spectra obtained on three Space Shuttle missions (1992, 1993, and 1994) provide a unique opportunity to study the global stratospheric sulfate aerosol layer shortly after a major volcanic eruption and periodically during the decay phase. Synthetic sulfate aerosol spectra are fit to the observed spectra, and a global fitting inversion routine is used to derive vertical profiles of sulfate aerosol volume density. Vertical profiles of sulfate aerosol volume density for the three missions over portions of the globe are presented, with the peak in aerosol volume density occurring from as low as 10 km (polar latitudes) to as high as 20 km (subtropical latitudes). Derived aerosol volume density is as high as 2-3.5 (mu)m(exp 3) per cubic centimeter +/-10% in 1992, decreasing to 0.2-0.5 (mu)m(exp 3) per cubic centimeter +/-20% in 1994, in agreement with other experiments. Vertical extinction profiles derived from ATMOS are compared with profiles from Improved Stratospheric And Mesospheric Sounder (ISAMS) and Cryogenic Limb Array Etalon Spectrometer (CLAES) that coincide in space and time and show good general agreement. The uncertainty of the ATMOS vertical profiles is similar to CLAES and consistently smaller than ISAMS at similar altitudes.

stratospheric aerosol↗

DOE OSTI2023

Fine‐Tuning Alkyl Chains on Quinoxaline Nonfullerene Acceptors Enables High‐Efficiency Ternary Organic Solar Cells with Optimizing Molecular Stacking and Reducing Energy Loss

Abstract Material design of guest acceptor is always a big challenge for improving the efficiency of ternary organic solar cells (OSCs). Here, a pair of isomeric nonfullerene acceptors based on quinoxaline core, Qx–p‐C 7 H 8 O and Qx–m‐C 7 H 8 O, is designed and synthesized. By moving the alkoxy chain attached on side phenyl frommeta‐position topara‐position, both π–π stacking distance and crystallinity are enhanced simultaneously. They obtain the uplifted lowest unoccupied molecular orbital level. Compared to Qx–m‐C 7 H 8 O, Qx–p‐C 7 H 8 O exhibits wider absorption spectrum and higher extinction coefficient. Using D18‐Cl:N3 as host materials, the addition of guest acceptor Qx–p‐C 7 H 8 O significantly improves the power conversion efficiency (PCE) from 17.61% to 18.49% because of higher open‐circuit voltage (0.875 V) and short‐circuit current density (27.85 mA cm −2 ). This can be attributed to the faster exciton dissociation, more balanced carrier mobility, fine fiber morphology, and lower energy loss in the ternary devices. However, Qx–m‐C 7 H 8 O‐based ternary device achieves relatively low PCE of 17.17% because this device shows extremely low electron mobility. The results indicate that molecular stacking, film morphology, etc., can be effectively modulated by fine‐tuning the side chains of guest materials, which may be an effective design rule for further improving the PCE of OSCs.

Chemistry↗

DOE OSTI2024

Detection and Signal Processing for Near-Field Nanoscale Fourier Transform Infrared Spectroscopy

Researchers from a broad spectrum of scientific and engineering disciplines are increasingly using scattering-type near-field infrared spectroscopic techniques to characterize materials non-destructively with nanoscale spatial resolution. However, a sub-optimal understanding of a technique's implementation can complicate data interpretation and act as a barrier to entering the field. Here the key detection and processing steps involved in producing scattering-type near-field nanoscale Fourier transform infrared spectra (nano-FTIR) are outlined. The self-contained mathematical and experimental work derives and explains: i) how normalized complex-valued nano-FTIR spectra are generated, ii) why the real and imaginary components of spectra qualitatively relate to dispersion and absorption respectively, iii) a new and generally valid equation for spectra which can be used as a springboard for additional modeling of the scattering processes, and iv) an algebraic expression that can be used to extract an approximation to the sample's local extinction coefficient from nano-FTIR. The algebraic model for weak oscillators is validated with nano-FTIR and attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectra on samples of polystyrene and Kapton and further provides a pedagogical pathway to cementing some of the technique's key qualitative attributes.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Activating Layered Metal Oxide Nanomaterials via Structural Engineering as Biodegradable Nanoagents for Photothermal Cancer Therapy

Layered metal oxides including MoO 3 and WO 3 have been widely explored for biological applications owing to their excellent biocompatibility, low toxicity, and easy preparation. However, they normally exhibit weak or negligible near-infrared (NIR) absorption and thus are inefficient for photo-induced biomedical applications. Herein, the structural engineering of layered MoO 3 and WO 3 nanostructures is first reported to activate their NIR-II absorption for efficient photothermal cancer therapy in the NIR-II window. White-colored micrometre-long MoO 3 nanobelts are transformed into blue-colored short, thin, defective, interlayer gap-expanded MoO 3–x nanobelts with a strong NIR-II absorption via the simple lithium treatment. The blue MoO 3–x nanobelts exhibit a large extinction coefficient of 18.2 L g –1 cm –1 and high photothermal conversion efficiency of 46.9% at 1064 nm. After surface modification, the MoO 3–x nanobelts can be used as a robust nanoagent for photoacoustic imaging-guided photothermal therapy to achieve efficient cancer cell ablation and tumor eradication under irradiation by a 1064 nm laser. Importantly, the biodegradable MoO 3–x nanobelts can be rapidly degraded and excreted from body. We report the study highlights that the structural engineering of layered metal oxides is a powerful strategy to tune their properties and thus boost their performances in given applications.

36 MATERIALS SCIENCE↗