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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on W(BrO)2 by Materials Project

WO2Br2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is two-dimensional and consists of one WO2Br2 sheet oriented in the (0, 0, 1) direction. W6+ is bonded to four O2- and two equivalent Br1- atoms to form distorted corner-sharing WBr2O4 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of W–O bond distances ranging from 1.87–2.00 Å. Both W–Br bond lengths are 2.50 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms. Br1- is bonded in a distorted single-bond geometry to one W6+ atom.

36 MATERIALS SCIENCE↗
NASA NTRS2002

Enhanced ClO from 10 to 12 km Near the Winter Polar Tropopause During SOLVE/THESEO-2000

Abundances of chlorine oxide have been measured in situ near the tropopause from the NASA DC-8 aircraft during the SOLVE/THESEO-2000 campaign. Significant abundances, averaging 15-20 parts per trillion, were observed throughout the lowermost stratosphere at high latitudes during winter. Mixing ratios of ClO generally increased with increasing ozone (the latter an indicator of stratospheric air) as has been observed at other latitudes and seasons. However, the ratio of ClO to inorganic chlorine ([ClO]/[Cl(sub y)]) was found to be largest in air characterized by low abundances of ozone (approximately l00-250). It was within this range of ozone values that cirrus clouds were also observed occasionally throughout the measurement period, although distinct enhancements of ClO were not commonly observed directly within cirrus clouds. Elevated abundances of ClO were also apparently observed in polar darkness. However, we attribute these measurements to OClO, a species that can also be detected by the DC-8 instrument under the conditions encountered during SOLVE/THESEO-2000. Using a photochemical box model constrained by daytime abundances of ClO, we infer that BrO mixing ratios in this region were approximately 2-4 ppt, consistent with previous measurements from balloon-borne remote sensors.

Toohey, Darin W.↗
NASA NTRS1989

Lagrangian photochemical modeling studies of the 1987 Antarctic spring vortex. I - Comparison with AAOE observations

Results from the Lagrangian photochemical model integrated along computed air parcel trajectories intersected by the ER-2 aircraft are presented and compared with AAOE observations. According to the model, the BrO observations made from the ER-2 within the dehydrated denitrified region are consistent with there being approximately 5 parts per trillion by volume of BrO(y) at 428 K in spring. Within the high ClO region, ozone destruction rates are expected to exceed 2 percent/d with approximately 80 percent due to the ClO dimer mechanism.

Jones, R. L.↗
NASA NTRS2015

Aircraft Measurements of BrO, IO, Glyoxal, NO2, H2O, O2-O2 and Aerosol Extinction Profiles in the Tropics: Comparison with Aircraft-/Ship-Based in Situ and Lidar Measurements

Tropospheric chemistry of halogens and organic carbon over tropical oceans modifies ozone and atmospheric aerosols, yet atmospheric models remain largely untested for lack of vertically resolved measurements of bromine monoxide (BrO), iodine monoxide (IO) and small oxygenated hydrocarbons like glyoxal (CHOCHO) in the tropical troposphere. BrO, IO, glyoxal, nitrogen dioxide (NO2), water vapor (H2O) and O2-O2 collision complexes (O4/ were measured by the University of Colorado Airborne Multi-AXis Differential Optical Absorption Spectroscopy (CU AMAXDOAS) instrument, aerosol extinction by high spectral resolution lidar (HSRL), in situ aerosol size distributions by an ultra high sensitivity aerosol spectrometer (UHSAS) and in situ H2O by vertical-cavity surface-emitting laser (VCSEL) hygrometer. Data are presented from two research flights (RF12, RF17) aboard the National Science Foundation/ National Center for Atmospheric Research Gulfstream V aircraft over the tropical Eastern Pacific Ocean (tEPO) as part of the "Tropical Ocean tRoposphere Exchange of Reactive halogens and Oxygenated hydrocarbons" (TORERO) project (January/February 2012). We assess the accuracy of O4 slant column density (SCD) measurements in the presence and absence of aerosols. Our O4-inferred aerosol extinction profiles at 477 nm agree within 6% with HSRL in the boundary layer and closely resemble the renormalized profile shape of Mie calculations constrained by UHSAS at low (sub-Rayleigh) aerosol extinction in the free troposphere. CU AMAX-DOAS provides a flexible choice of geometry, which we exploit to minimize the SCD in the reference spectrum (SCDREF, maximize signal-to-noise ratio) and to test the robustness of BrO, IO and glyoxal differential SCDs. The RF12 case study was conducted in pristine marine and free tropospheric air. The RF17 case study was conducted above the NOAA RV Ka'imimoana (TORERO cruise, KA-12-01) and provides independent validation data from ship-based in situ cavity-enhanced DOAS and MAX-DOAS. Inside the marine boundary layer (MBL) no BrO was detected (smaller than 0.5 pptv), and 0.2-0.55 pptv IO and 32-36 pptv glyoxal were observed. The near-surface concentrations agree within 30% (IO) and 10% (glyoxal) between ship and air-craft. The BrO concentration strongly increased with altitude to 3.0 pptv at 14.5 km (RF12, 9.1 to 8.6 deg N; 101.2 to 97.4 deg W). At 14.5 km, 5-10 pptv NO2 agree with model predictions and demonstrate good control over separating tropospheric from stratospheric absorbers (NO2 and BrO). Our profile retrievals have 12-20 degrees of freedom (DoF) and up to 500m vertical resolution. The tropospheric BrO vertical column density (VCD) was 1.5 x 10(exp 13) molec cm(exp -2) (RF12) and at least 0.5 x 10(exp 13) molec cm(exp -2) (RF17, 0- 10 km, lower limit). Tropospheric IO VCDs correspond to 2.1 x 10(exp 12) molec cm(exp -2) (RF12) and 2.5 x 10(exp 12) molec cm(exp -2) (RF17) and glyoxal VCDs of 2.6 x 10(exp 14) molec cm(exp -2) (RF12) and 2.7 x 10(exp 14) molec cm(exp -2) (RF17). Surprisingly, essentially all BrO as well as the dominant IO and glyoxal VCD fraction was located above 2 km (IO: 58 plus or minus 5 %, 0.1-0.2 pptv; glyoxal: 52 plus or minus 5 %, 3-20 pptv). To our knowledge there are no previous vertically resolved measurements of BrO and glyoxal from aircraft in the tropical free troposphere. The atmospheric implications are briefly discussed. Future studies are necessary to better understand the sources and impacts of free tropospheric halogens and oxygenated hydrocarbons on tropospheric ozone, aerosols, mercury oxidation and the oxidation capacity of the atmosphere.

Volkamer, R.↗
NASA NTRSDate not supplied

Upping the TEMPO on Air Pollution Observations from Space for Enhanced Science Applications

The Tropospheric Emissions: Monitoring of Pollution (TEMPO) mission was launched into Geostationary Earth Orbit (GEO) to 91°W longitude on April 7, 2023, and had a successful First Light period from July 31 – August 2 where the first hourly daytime scans across the TEMPO Field of Regard (FoR) covering greater North America were performed. First light images of nitrogen dioxide (NO2) were released to the public on August 24. In addition to NO2, TEMPO will provide hourly daytime observations of formaldehyde (HCHO), sulfur dioxide (SO2), ozone (O3), bromine (BrO), water vapor (H2O), and aerosols, at high spatial resolution (~2.0 x 4.75 km2) across the FoR. The hyperspectral ultraviolet-to-visible measurements from the TEMPO imaging grating spectrometer will permit an ozone profile retrieval capable of monitoring the diurnal evolution of ozone in the planetary boundary layer. The non-standard or special scan operations of TEMPO at sub-hourly frequency (e.g., 2-10 minutes) over selected slices of the FoR will further enhance monitoring capabilities during air quality disasters (e.g., wildfires, volcanic eruptions, dust storms, industrial accidents), research studies, and field campaign operations. A large diversity of stakeholders and end-users have been engaged in the TEMPO Early Adopters Program, supported by the NASA Applied Sciences Program, which aims to enhance health and air quality applications and maximize the societal benefit of TEMPO data when operational data becomes publicly available in the spring of 2024. Key outcomes from the Early Adopters Program include the pre-launch use of TEMPO proxy data to prepare the community for operational data, tailoring the data dissemination and visualization tools for the mission based on user needs, and enhancing the TEMPO special operations component of the mission through early adopter studies. This presentation will provide the latest TEMPO mission and Early Adopters Program updates, initiatives from the TEMPO special operations, and early demonstrations of science applications enabled through TEMPO data, while also showcasing the First Light imagery.

Air Quality↗
NASA NTRS1990

In situ measurements of BrO in the Arctic stratosphere

Mixing ratios of BrO have been measured in the Arctic lower statosphere with an instrument mounted on the NASA ER-2 aircraft. Observations from fourteen flights above the Arctic Circle in January and February of 1989 defined mixing ratios within the vortex of 4 + or - 2 parts per trillion by volume (pptv) at a potential temperature of 400 K, rising to 8 + or - 2 pptv at 470 K. These values are twice as large as values found at equivalent potential temperatures at lower latitudes, and are comparable to the mixing ratios found inside the antarctic polar vortex. Within the statistical uncertainty of the measurements, no BrO was observed in darkness at any time either inside or outside of the vortex, indicating that active bromine was sequestered in long-lived reservoirs, probably BrONO2 and BrCl. These measurements, in conjuction with measurements of ClO, demonstrate that the interaction of bromine and chlorine could represent a major sink for ozone in the presence of sunlight.

Toohey, D. W.↗
NASA NTRS1994

Are models of catalytic removal of O3 by HO(x) accurate? Constraints from in situ measurements of the OH to HO2 ratio

Measurements of the ratio OH/HO2, NO, O3, ClO, and BrO were obtained at altitudes from 15-20 km and latitudes from 15-60 deg N. A method is presented for interpreting the rates of chemical transformations that (1) are responsible for over half the ozone removal rate in the lower stratosphere via reactions of HO2; and (2) control the abundance of HO2 through coupling to nitrogen and halogen radicals. The results show our understanding of the chemical reactions controlling the partitioning of OH and HO2 is complete and accurate and that the potential effects of 'missing chemistry' are strickly constrained in the region of the atmosphere encompassed by the observations. The analysis demonstrates that the sensitivity of the ratio OH/HO2 to changes in NO is described to within 12% by current models. This reduces by more than a factor of 2 the effect of uncertainty in the coupling of hydrogen and nitrogen radicals on the analysis of the potential effects of perturbations to odd notrogen in the lower statosphere.

Cohen, R. C.↗
NASA NTRS2005

Nighttime OClO in the Winter Arctic Vortex

We show that a nighttime profile of OClO in the Arctic vortex during the winter of 2000 is overestimated, by nearly a factor of 2, using an isentropic trajectory model constrained by observed profiles of ClOx (ClO + 2 X ClOOCl) and BrO. Calculated abundances of nighttime OClO are shown to be sensitive to the abundance of BrOx (BrO + BrCl), details of the air parcel history during the most recent sunrise/sunset transitions, and the BrCl yield from the reaction BrO + ClO. Many uncertainties are considered, and the discrepancy between measured and modeled nighttime OClO appears to be robust. This discrepancy suggests that production of OClO occurs more slowly than implied by standard photochemistry. If the yield of BrCl from the reaction of BrO + ClO is increased from 7% (JPL 2002 value) to 11% (near the upper limit of the uncertainty), good agreement is found between measured and modeled nighttime OClO. This study highlights the importance of accurate knowledge of BrO + ClO reaction kinetics as well as air parcel trajectories for proper interpretation of nighttime OClO. These factors have a considerably smaller impact on the interpretation of OClO observations obtained during twilight (90(deg) <=SZA <= 92(deg)), when photolytic processes are still active.

chlorine activation↗
NASA NTRS2002

Science Objectives of EOS-Aura's Ozone Monitoring Instrument (OMI)

OMI is a UV/VIS nadir solar backscatter spectrograph, which provides near global coverage in one day with a spatial resolution of 13 x 24 sq km. OMI is a new instrument, with a heritage from the European satellite instruments GOME, GOMOS and SCIAMACHY. OMI's unique capabilities for measuring important trace gases with a small footprint and daily global coverage, in conjunction with the other Aura instruments, will make a major contribution to our understanding of stratospheric and tropospheric chemistry and climate change. OMI will measure solar irradiance and Earth radiances in the wavelength range of 270 to 500 nm with spectral resolution of about 0.5 nm and a spectral sampling of about 2-3 per FWHM. From these observations, total columns of O3, NO2, BrO and SO2 will be derived from the back-scattered solar radiance using differential absorption spectroscopy (DOAS). The TOMS total ozone record will also be continued by employing the well established TOMS algorithm. Because of the high accuracy and spatial resolution of the measurements, a good estimate of tropospheric amounts of ozone and NO2 are expected. Ozone profiles will be derived using the optimal estimation method. The spectral aerosol optical depth will be determined from measurements between 340 and 500 nm. This will provide information on aerosol concentration, aerosol size distribution and aerosol type. This wavelength range makes it possible to retrieve aerosol information over both land and sea. OMI observations will also allow retrievals of cloud coverage and cloud heights. From these products, the UV-B flux at the surface can then be derived with high spatial resolution.

Levelt, P. F.↗
DOE OSTI2021

Epitaxial Ferroelectric Hf 0.5 Zr 0.5 O 2 with Metallic Pyrochlore Oxide Electrodes

The synthesis of fully epitaxial ferroelectric Hf 0.5 Zr 0.5 O 2 (HZO) thin films through the use of a conducting pyrochlore oxide electrode that acts as a structural and chemical template is reported. Such pyrochlores, exemplified by Pb 2 Ir 2 O 7 (PIO) and Bi 2 Ru 2 O 7 (BRO), exhibit metallic conductivity with room-temperature resistivity of <1 mΩ cm and are closely lattice matched to yttria-stabilized zirconia substrates as well as the HZO layers grown on top of them. Evidence for epitaxy and domain formation is established with X-ray diffraction and scanning transmission electron microscopy, which show that the c-axis of the HZO film is normal to the substrate surface. The emergence of the non-polar-monoclinic phase from the polar-orthorhombic phase is observed when the HZO film thickness is ≥≈30 nm. Furthermore, thermodynamic analyses reveal the role of epitaxial strain and surface energy in stabilizing the polar phase as well as its coexistence with the non-polar-monoclinic phase as a function of film thickness.

36 MATERIALS SCIENCE↗