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At least 37 records · Page 2

Short-Lived Modules Need to be Efficient, Lightweight, and Circular for the Energy Transition

Deployment projections for decarbonizing the grid predict 1.75 TW of PV is needed in the United States by 2050. This entails a cumulative demand of 97 million metric tonnes of virgin materials for c-Si modules. These material needs are extraction and energy intensive, making them a key target for improving PV sustainability. Emerging PV technologies, such as perovskites, are targeting 15-year modules, high efficiencies, and circular designs. Previous analysis found that by just modifying the life expectancy to 15 years (keeping target c-Si efficiencies and BOM), an additional 1.4 TW of replacement modules are required to maintain capacity, increasing virgin material demand by 1.75x unless >95% closed-loop recycling is maintained. This study examines the effect of achieving higher efficiencies with thin-film designs and a 15-year expectancy. Higher efficiencies and thin film designs can decrease deployment and material demands, making the level of circularity more attainable. If BOM mass is reduced by 50%, closed-loop recycling rates need to be >80% to reduce virgin material demands compared to a 35-yr c-Si module. If module efficiencies are 30%, closed-loop recycling rates can be reduced to 65%. This efficiency increase also reflects that 1500 million fewer modules can be deployed, however, this is still 2000 million more modules than a 35-year module needs to deploy to achieve energy transition targets, and no PV technology is closed-loop recycled for all component materials.

circular economy↗

In Situ Raman Mapping of Si Island Electrodes and Stress Modeling as a Function of Lithiation and Size

Si is known for cracking and delamination during electrochemical cycling of a battery due to the large volume change associated with Li insertion and extraction. However, it has been found experimentally that patterned Si island electrodes that are 200 nm thick and less than 7 μm wide can deform in a purely elastic manner. Inspired by this, we performed in situ Raman stress characterization of model poly-crystalline Si island electrodes using an electrochemical cell coupled with an immersion objective lens and designed for a short working distance. A 5 μm wide Si island electrode showed a parabolic stress profile during lithiation, while for a 15 μm Si island electrode, a stress plateau in the center of the electrode was observed. A continuum model with coupled electro-chemo-mechanical (ECM) physics was established to understand the stress measurement. A qualitative agreement was reached between modeling and experimental data, and the critical size effect could be explained by the Li diffusive flux as governed by competition between the Li concentration and hydrostatic stress gradients. Below the critical size, the stress gradient drives Li toward the edges, where the electrode volume is free to expand, while above the critical size, the stress plateau inhibits Li diffusion to the edge and forces destructive stress relief by cracking. Furthermore, this work represents a promising methodology for in situ characterization of ECM coupling in battery electrodes, with suggestions provided for further improvement.

25 ENERGY STORAGE↗

2017 Meander C sediment characterization from the East River, Colorado

This dataset includes characterization data collected on sediment samples from Meander C as part of the Watershed Function Scientific Focus Area (SFA) located in the Upper Colorado River Basin. The data were collected to investigate the nature of mineral-organic associations across the meander transect and with depth. Samples were collected in 2017, and analyzed using sequential extractions (water, pyrophosphate, HCl, and dithionite) and density fractionation. Data collected include: texture, pH, root biomass, and metals (Fe, Al, Ca, Si) of bulk sediment samples; C and N of heavy fraction; and extractable OC, Fe, and Al, and organic matter characterization using high-resolution mass spectrometry (FT-ICR-MS) of sequential extractions. Sample locations are included in the ‘sample_metadata.xlsx” file. Sediment characterization data is included in the accompanying csv files: bulk and density fractions (MCB2017_density-and-bulk-fractions.csv), sequential extractions (MCB2017_sequential-extractions.csv), and FT-ICR-MS data from sequential extractions in three files to be read by the R package ftmsRanalysis (MCB2017_FTICRMS-sequential-edata.csv, MCB2017_FTICRMS-sequential-emeta.csv, and MCB2017_FTICRMS-sequential-fdata.csv). Sediment was collected in triplicate; ID’s refer to individual samples.

54 ENVIRONMENTAL SCIENCES↗

Measurement of Contact Resistivity In Symmetric Polycrystalline Si/SiO x /Monocrystalline Si Test Structures Using Variable Light Illumination

While different methods exist to determine the contact resistivity in semiconductor devices, these methods are limited to measurement of the majority carrier contacts. The measurement of p‐ or n‐type contacts on n‐ or p‐type crystalline silicon, respectively, is challenging due to the blocking diode formed by the p–n junction. In this article, we address this problem for tunneling oxide passivating contacts used in high‐efficiency Si solar cells. We propose a universal method to extract contact resistivity on symmetric test structures with polycrystalline silicon on SiO x (poly‐Si/SiO x ) passivating contacts under illumination, both for p–n and high–low‐junction passivated contacts. In this method, we demonstrate that the total contact resistance of each cell grid finger to the base wafer is governed by its effective contact area, defined by the transfer length extending from both sides of the finger. Therefore, the grid contact resistance of a poly‐Si contact depends on the ratio of the doped poly‐Si sheet resistance to the tunneling contact resistivity.

14 SOLAR ENERGY↗

Spectroscopy of 30 P and the abundance of 29 Si in presolar grains

The astrophysical 29 Si(p,γ) reaction is expected to play a key role in determining the final 29 Si yields ejected in nova explosions. Such yields are used to accurately identify the stellar origins of meteoritic stardust and recently, distinctive silicon isotopic ratios have been extracted from a number of presolar grains. Here, the light-ion 28 Si( 3 He,p) fusion-evaporation reaction was used to populate low-spin proton-unbound excited states in the nucleus 30 P that govern the rate of the astrophysical 29 Si(p,γ) reaction. In particular, γ decays were observed from resonances up to E r = 500keV, and key resonances at 217 and 315 keV have now been identified as 2 + and 2¯ levels, respectively. Here, the present paper provides the first estimate of the 217-keV resonance strength and indicates that the strength of the 315-keV resonance, which dominates the rate of the 29 Si(p,γ) reaction over the entire peak temperature range of oxygen-neon novae, is higher than previously expected. As such, the abundance of 29 Si ejected during nova explosions is likely to be less than that predicted by the most recent theoretical models.

20 ≤ A ≤ 38↗

Synthesis Of A Precursor Of Silicon Nitride

Promising route toward production of highly pure, finely divided, easily sinterable silicon nitride (Si3N4) involves thermal decomposition of silicon diimide {Si(NH)2} prepared by ammonolysis of Si(SCN)4 in CH3CN and purified by complete extraction of byproduct NH4SCN by use of ammonia at temperature and pressure above critical point.

Philipp, Warren H.↗

Progressive growth of the solid–electrolyte interphase towards the Si anode interior causes capacity fading

The solid–electrolyte interphase (SEI), a layer formed on the electrode surface, is essential for electrochemical reactions in batteries and critically governs the battery stability. Active materials, especially those with extremely high energy density, such as silicon (Si), often inevitably undergo a large volume swing upon ion insertion and extraction, raising a critical question as to how the SEI interactively responds to and evolves with the material and consequently controls the cycling stability of the battery. Here, by integrating sensitive elemental tomography, an advanced algorithm and cryogenic scanning transmission electron microscopy, we unveil, in three dimensions, a correlated structural and chemical evolution of Si and SEI. Furthermore, corroborated with a chemomechanical model, we demonstrate progressive electrolyte permeation and SEI growth along the percolation channel of the nanovoids due to vacancy injection and condensation during the delithiation process. Consequently, the Si–SEI spatial configuration evolves from the classic ‘core–shell’ structure in the first few cycles to a ‘plum-pudding’ structure following extended cycling, featuring the engulfing of Si domains by the SEI, which leads to the disruption of electron conduction pathways and formation of dead Si, contributing to capacity loss. The spatially coupled interactive evolution model of SEI and active materials, in principle, applies to a broad class of high-capacity electrode materials, leading to a critical insight for remedying the fading of high-capacity electrodes.

36 MATERIALS SCIENCE↗

Two-neutron knockout as a probe of the composition of states in Mg 22 , Al 23 , and Si 24

Simpson and Tostevin proposed that the width and shape of exclusive parallel momentum distributions of the A - 2 residue in direct two-nucleon knockout reactions carry a measurable sensitivity to the nucleon single-particle configurations and their couplings within the wave functions of exotic nuclei. We further report here on the first benchmarks and use of this new spectroscopic tool. Exclusive parallel momentum distributions for states in the neutron-deficient nuclei Mg 22 , Al 23 , and Si 24 populated in such direct two-neutron removal reactions were extracted and compared to predictions combining eikonal reaction theory and shell-model calculations. For the well-known Mg 22 and Al 23 nuclei, measurements and calculations were found to agree, supporting the dependence of the parallel momentum distribution width on the angular momentum composition of the shell-model two-neutron amplitudes. In Si 24 , a level at 3439(9) keV, of relevance for the important Al 23 ( p , γ ) Si 24 astrophysical reaction rate, was confirmed to be the 2 2 + state, whereas the 4 1 + state, expected to be strongly populated in two-neutron knockout, was not observed. This puzzle is resolved by theoretical considerations of the Thomas-Ehrman shift, which also indicates that a previously reported 3471-keV state in Si 24 is, in fact, the ( 0 2 + ) level with one of the largest experimental mirror-energy shifts ever observed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

The Warm Gas in the MW: A Kinematical Model

We develop a kinematical model for the Milky Way Si IV-bearing gas to determine its density distribution and kinematics. This model is constrained by a column density line-shape sample extracted from the Hubble Space Telescope/Cosmic Origins Spectrograph archival data, which contains 186 active galactic nucleus sight lines. We find that the Si IV ion density distribution is dominated by an extended disk along the z-direction (above or below the midplane), i.e., n(z) = n0 exp(-(z z/0 ) 0.82 , where z0 is the scale height of - 6.3+1.5 -1.6 kpc (northern hemisphere) and 3.6+0.9 -1.0 kpc (southern hemisphere). The density distribution of the disk in the radial direction shows a sharp edge at 15–20 kpc given by, n(rXY) = n0 exp(-(rXY/r0) 3.36 , where r0≈12.5±0.6 kpc. The difference of density distributions over rXY and z directions indicates that the warm gas traced by Si IV is mainly associated with disk processes (e.g., feedback or cycling gas) rather than accretion. We estimate the mass of the warm gas (within 50 kpc) is log(M(50kpc) M(sun)) ≈ 8.1 (assuming Z≈0.5 Z(sun)), and a 3σ upper limit of log(M(250kpc) M(sun)) ≈ 9.1 (excluding the Magellanic system). Kinematically, the warm gas disk is nearly co-rotating with the stellar disk at vrot = 215 ± 3 km s-1, which lags the midplane rotation by about 8 km s-1 kpc-1 (within 5 kpc). Meanwhile, we note that the warm gas in the northern hemisphere has significant accretion with vacc of 69±7 km s-1 at 10 kpc (an accretion rate of -0.60+0.13- 0.11 M(sun) yr-1), while in the southern hemisphere, there is no measurable accretion, with an upper limit of 0.4M(sun) yr−1.

Zhijie Qu↗

In-beam γ-ray spectroscopy of 32 Mg via direct reactions

Background: The nucleus 32 Mg (N=20 and Z=12) plays a central role in the so-called “island of inversion,” where in the ground states sd-shell neutrons are promoted to the fp-shell orbitals across the shell gap, resulting in the disappearance of the canonical neutron magic number N=20. Purpose: The primary goals of this work are to extend the level scheme of 32Mg, provide spin-parity assignments to excited states, and discuss the microscopic structure of each state through comparisons with theoretical calculations. Method: In-beam γ-ray spectroscopy of 32 Mg was performed using two direct-reaction probes: one-neutron (two-proton) knockout reactions on 33 Mg ( 34 Si). Final-state exclusive cross sections and parallel momentum distributions were extracted from the experimental data and compared with eikonal-based reaction model calculations combined with shell-model overlap functions. Results: Owing to the remarkable selectivity of the one-neutron and two-proton knockout reactions, a significantly updated level scheme for 32 Mg, which exhibits negative-parity intruder and positive-parity normal states, was constructed. The experimental results were confronted with four different nuclear structure models. Conclusions: In some of these models, different aspects of 32 Mg and the transition into the island of inversion are well described. However, unexplained discrepancies remain, and, even with the help of these state-of-the-art theoretical approaches, the structure of this key nucleus is not yet fully captured.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

A Viable Scheme for Elemental Extraction and Purification Using In-Situ Planetary Resources

NASA's new strategic direction includes establishing a self-sufficient, affordable and safe human and robotic presence outside the low earth orbit. Some of the items required for a self-sufficient extra-terrestrial habitat will include materials for power generation (e.g. Si for solar cells) and habitat construction (e.g. Al, Fe, and Ti). In this paper we will present a viable elemental extraction and refining process from in-situ regolith which would be optimally continuous, robotically automated, and require a minimum amount of astronaut supervision and containment facilities, The approach is based on using a concentrated heat source and translating sample geometry to enable simultaneous oxide reduction and elemental refining. Preliminary results will be presented to demonstrate that the proposed zone refining process is capable of segregating or refining important elements such as Si (for solar cell fabrication) and Fe (for habitat construction). A conceptual scheme will be presented whereby such a process could be supported by use of solar energy and a precursor robotic mission on the surface of the moon.

Sen, S.↗

Use of a Mylar filter to eliminate vacuum ultraviolet pulse pileup in low-energy x-ray measurements

We describe a method to reduce vacuum ultraviolet (VUV) pulse pileup (PPU) in x-ray pulse-height Silicon Drift Detector (SDD) signals. An Amptek FAST SDD, with C1 (Si 3 N 4 ) window, measures bremsstrahlung emitted from PFRC-2 plasma to extract the electron temperature (T e ) and density (n e ). The C1 window has low transmissivity for photons with energy below 200 eV though will transmit some VUV and soft x-ray photons, which PFRC-2 plasmas abundantly emit. Multi-VUV-photon PPU contaminates the interpretation of x rays with energy > 100 eV, particularly in a low-energy exponential tail. The predicted low transmissivity of ~1 μm thick Mylar [polyethylene terephthalate (PET)] to photons of energy <100 eV led to the selection of Mylar as the candidate filter to reduce VUV PPU. Experiments were conducted on an x-ray tube with a graphite target and on a quasi-Maxwellian tenuous plasma (n e ~ 10 9 cm –3 ) with effective temperatures reaching 1500 eV. A Mylar filter thickness of 850 nm is consistent with the results. The Mylar-filter-equipped SDD was then used on the PFRC-2 plasma, showing a substantial reduction in the low-energy x-ray signal, supporting our hypothesis of the importance of VUV PPU. Here, we describe the modeling and experiments performed to characterize the effect of the Mylar filter on SDD measurements.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Feasibility of using S-191 infrared spectra for geological studies from space

Use of the S-191 spectrometer system aboard the SKYLAB(SL3) mission shows that geologically meaningful spectra can be extracted from the data by which terrain target can be differentiated. The Si-O bond in all silicates (which form most surface rocks) produced an emission minimum which is characteristic of a mineral, or a set of minerals, in a rock. The underflight RB57 mission was far more successful, primarily because of its much slower velocity allowing a higher signal/noise, and hence better spectral resolution for any given area terrain. With the RB57 spectra, areas can be differentiated and significant differences in rock targets demonstrated. The geological provenance of some alluvial outwash in the nearby mountains over which the aircraft also flew its flight strip can be indicated.

Lyon, R. J. P.↗

Non-Contact Mass Density and Thermal Conductivity Measurements of Organic Thin Films Using Frequency–Domain Thermoreflectance

Thin-film organic materials are broadly used to study amorphous stabilization of active pharmaceuticals, control explosive detonation phenomena, and introduce insulation in novel thermal barriers. Their synthesis, however, introduces defects and thickness variations that warrant careful characterization of local thermophysical properties such as thermal conductivity and mass density. In this study, wide bandwidth (200 Hz to 20 MHz) frequency–domain thermoreflectance (FDTR) is demonstrated to simultaneously extract the thermal conductivity and mass density of 1 μm physical vapor-deposited indomethacin films on Si and SiO 2 substrates, as well as 10 and 100 μm films on Si. By assuming a bulk specific heat capacity, mass densities are determined with FDTR measurements of volumetric heat capacity and are in good agreement with the literature, as well as models based upon a dependence on porosity and the kinetic theory for phonons. Lastly, it is found that for broad-band FDTR measurements, insulating substrates provide improved fidelity for the extraction of thermal conductivity and volumetric heat capacity in organic thin films. Overall, this work demonstrates the potential for FDTR as a non-contact method to determine microscale mass density variations across the surface and thickness of organic thin films.

36 MATERIALS SCIENCE↗

Micrometer to Atomic Scale Characterisation of Primitive Astromaterials Using A Novel Method, Metis-Fa: A Coordinated Atom Probe Tomography, Transmission Electron Microscopy and NanoSIMS Approach

Introduction: Presolar grains preserve isotopic, chemical and microstructural records of physical and chemical processing, and formation mechanisms within a vast range of evolved stellar systems, the interstellar medium, solar nebula and their parent bodies. These evolutionary records are preserved at the micrometric to atomic scale, requiring coordinated studies to expand our understanding of evolutionary processes occurringthroughout ours and external stellar systems [1]. NanoSIMS enabled rapid in situ identification and isotopic characterisation of presolar grains and their stellar origins using 17O/16O and 18O/16O, and 13C/12C isotopic ratios [1]. Coordination with transmission electron microscopy (TEM) revealed crystallographic and localised contextual relationships and quantitively constrained their major and minor compositions [1]. However, trace elements cannot be quantified, the most sensitive geochemical tracers of environmental conditions, essential to unravelling the chemical record of their evolutionary pathway and parent stellar systems [2-3] . Furthermore, owing to the combination of technical limitations (only 5 – 7 isotopes can be measured per NanoSIMS run) and their small grain sizes of 100 nm < 3 μm (with rare exceptions in nanodiamonds (2 nm ≤) and SiC (< 40 μm)), the number of measurable isotopes per grain volume is limited [1,3] . Through more comprehensive isotopic studies of presolar grains, NanoSIMS studies have shown the importance of the latter, identifying Fe and Mg as important indicators of nuclear synthetic processing and their stellar origins, respectively [4- 5]. Coordination of NanoSIMS and Atom Probe Tomography (APT) revealed morphological signatures, and isotopic and chemical signatures at major to trace levels without requirements for preselection of elements [6]. However, crystallographic signatures in localized contextual relationships cannot be measured. Consequently, coordination of NanoSIMS, TEM and APT is essential to gain access to almost all contextual, structural and geochemical signatures within each presolar grain.Transmission electron microscopy requires a 100 nm thin lamella which is unstable in APT and would not produce any viable data. Atom probe tomography requires a needle-shaped specimen which when measured in TEM removes the local context, impacts the quality of the TEM diffraction images due to the shank angle of the needle, and can alter the chemistry of beam sensitive materials from the higher degree of surface exposure at the tip. To address these issues, we developed METIS-Fa (Multi-technical measurements of Electron Transparent materials using an Indium Sandwich - a FIB approach). A novel method which enables coordination of NanoSIMS, TEM and APT for generalized and targeted studies of individual grains, including beam sensitive materials, without compromising sample preparation requirements for TEM and APT. This method requires only indium and a Focus Ion Beam (FIB), minimizing the movement of fragile materials while still enabling preparation of TEM lamella into APT needles. Samples: Initial experimental development and testing of the method occurred at Astromaterials Research and Exploration Science (ARES), Johnson Space Centre (JSC), NASA and APT measurements and needle preparation occurred at JdLC, Curtin University. Synthetic silicate samples were used as analogs for presolar silicates when performing a trial run of the method. Samples were extracted from a polished thin section created at JSC, NASA, comprised of 38 wt.% Si, 17 wt.% FeO, 13 wt.% MgO, 12 wt.% Al, 11 wt.% Ca based on electron microprobe analysis (EMPA) [8] . Experimental details, pressure and temperature conditions were presented in [8] and references therein. Testing of the capability to target individual grains in mineral matrices using this method for acquisition in APT, measured matrix regions in meteoritic thin sections of primitive meteorites. These meteorites and their identified presolar grains for future targeted studies are detailed in [9]. Techniques: The TEM-FIB lamella were prepared using a FIB. An e-beam assisted pt deposition was used as a protective coating for the synthetic and meteoritic samples. When targeting individual grains, a secondary e-beam assisted pt deposition button is placed over the desired grain before the protective coating to denote its location. A JEOL 2500SE field-emission TEM was used for high-resolution imaging, energy-dispersive X-ray (EDX) and electron diffraction data.TheMETIS-Fa method was experimentally designed, tested and executed using a FIB at ARES, JSCNASA. Needles for APT were prepared using the Tescan Lyra3 GM Dual Beam Focus Ion Beam (FIB) Field Emission SEM (FE-SEM) at the JdLC, Curtin University. Atom probe tomography measurements were conducted using a CAMECA Local Electrode Atom Probe, LEAP 4000X HR. Two pure indium needles were analyzed initially to constraining acquisition parameters and stability under the beam. Manual acquisition was required to maintain evaporation of specimen’s at the apex and monitor interactions with measurement parameters. Experimental Design: Indium foil is pressed onto an Al stub with a pneumatic press and mounted into the FIB adjacent to the TEM-FIB lamella of interest. Using a FIB, two indium slices (5 μm x ~300 nm x 3 μm) are extracted from indium foil and aligned with the TEM-FIB lamella before touching the TEM-FIB lamella. Each slice is then attached through cold welding to the FIB-TEM lamella. This approach eliminates the need for chemical treatments and proved effective for aligning the Indium within the region of interest for APT, holding it in place for up to 4 days during testing.Once both indium slices are attached within their pre-determined region per grain targeting requirements, they are gradually melted onto the FIB-TEM lamella.When targeting a specific grain, measurements should be taken of the pt button and its distance from edge to edge of the lamella before and after sandwiching. A secondary button should be placed over the same region after the Indium slices have been attached to improve precision when preparing APT needles. Results: Figure 1 shows two indium slices melted onto a FIB-TEM lamella, adding additional bulk for preparation into APT needles as shown in Figure 2 [7] . The latter was essential so samples could be measured in TEM and APT without compromising sample preparation requirements and consequently data quality and acquisition stability. METIS-Fa proved effective forimproving geometry. Figure 3 shows a successful APTrun of the synthetic silicate. EMPA, TEM and APTshowed no chemical alterations. During targetingtesting, a solar silicate grain was successfully identifiedand measured in TEM, and prepared into an APTneedle. However, the indium was melted too long during sample preparation, causing expansion andformation of internal porosity leading to sample loss.Conclusion: METIS-Fa greatly expands the number of isotopic and chemical signatures measured per grain volume, and enables measurements of contextual, structural, crystallographic, isotopic and geochemical signatures within individual grains. Gaining access to such a vast range of evolutionary signatures required for expanding our understanding of external stellar and planetary systems and the evolution of our solar system. This method was designed for application to a vast range of phases including being sensitive materials and thus provides a way for coordination of NanoSIMS, TEM and APT not just for the study of presolar grains and by extension primitive astromaterials, but studies in a vast range of other fields including the geosciences and material sciences.Acknowledgments: Thankyou to ARES, JSC, NASA; JdLC Curtin University and Space Science Technology Centre for the use of laboratory facilities and funding [confirm].

Nicole D Nevill↗

Influence of clay mineral weathering on green rust formation at iron-reducing conditions

Green rusts (GR) are important drivers for trace metal and nutrient cycling in suboxic environments. We investigated whether green rusts would incorporate aluminum (Al) or other elements from naturally-formed clay minerals containing easily-weatherable clay minerals (e.g. mica, interlayered clays). We isolated the clay minerals from a Matapeake silt loam soil by removal of silt and sand, organic matter, and reducible oxides to study mechanisms of interaction between Fe(II) and soil-sourced clay minerals. We conducted batch Fe(II) sorption experiments at multiple near-neutral pHs (6.5–7.5) and reaction times (2h–365 days). Mineral transformations were characterized by selective extractions, X-ray diffraction (XRD), and Fe X-ray absorption spectroscopy (XAS) analyzed by shell-fitting and linear combination fitting (LCF) with natural and synthetic standards. Clay mineral fraction contained a mixture of quartz, kaolinite, interlayered vermiculite, mica, and chlorite with significant structural Fe (2.6% wt). Uptake of Fe(II) increased with pH and kinetics were rapid until 5 days, followed by slow continuous Fe(II) uptake. Citrate-bicarbonate desorption kinetics from Fe(II) sorbed clay released more Al and silicon (Si) compared with unreacted soil clay fraction whereas magnesium (Mg) and potassium (K) were unaffected. Citrate-bicarbonate extracted Fe contained more Fe(II) than an ideal GR with an Fe(II)/Fe(III) molar ratio of 5.50. Analysis of the Fe EXAFS by both LCF and shell fitting was best modeled as a combination of Fe(III)-clay reduction to Fe(II) and precipitation of GR and Fe(II)-Al LDH. After 7 days of Fe(II) sorption, LCF identified 55.2% total Fe in clay, 33.4% GR(Cl) and 11.4% Fe(II)-Al LDH. Further, these results provide novel evidence of Fe(II)-Al LDHs precipitating on naturally-formed soil clay minerals as a minor phase to GR. The geochemical implications are that GRs formed in soils and sediments should be considered to have Al and Si as well as Mg substitutions affecting their structure and reactivity.

58 GEOSCIENCES↗

A unified thermionic and thermionic-field emission (TE–TFE) model for ideal Schottky reverse-bias leakage current

We present a unified thermionic emission (TE) and thermionic-field emission (TFE) model for the ideal reverse-bias leakage current in Schottky junctions. The unified TE–TFE analytical model advances upon previous analytical TFE models by Murphy–Good and Padovani–Stratton, which are the two most widely adopted models by the community, in two major aspects: (i) the applicability of the TFE expression therein is extended to near-zero surface electric fields by an error-function correction, allowing for the calculation of the total current by a nontrivial sum of TE (over-the-barrier current) and TFE (below-the-barrier current) contributions; therefore, an accurate description of the TE-to-TFE transition region is captured analytically for the first time; (ii) image-force lowering is considered with much-simpler correction terms. Comparisons with the reference numerical model show that the unified TE–TFE model has excellent accuracy, as well as a 10 000× reduction in computation time. The unified model is further tested against experimental data from Schottky barrier diodes based on Si, 4H-SiC, GaN, and β-Ga 2 O 3 , revealing accurate extractions of barrier heights and correct descriptions of the ideal reverse leakage characteristics. With the extended applicable range, improved accuracy, and computational efficiency, the unified TE–TFE model is highly valuable for the design and analysis of devices based on Schottky junctions, as well as for potential integration in technology computer-aided design (TCAD) tools.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Improving IUE High Dispersion Extraction

We present a different method to extract high dispersion International Ultraviolet Explorer (IUE) spectra from the New Spectral Image Processing System (NEWSIPS) geometrically and photometrically corrected (SI HI) images of the echellogram. The new algorithm corrects many of the deficiencies that exist in the NEWSIPS high dispersion (SIHI) spectra . Specifically, it does a much better job of accounting for the overlap of the higher echelle orders, it eliminates a significant time dependency in the extracted spectra (which can be traced to the background model used in the NEWSIPS extractions), and it can extract spectra from echellogram images that are more highly distorted than the NEWSIPS extraction routines can handle. Together, these improvements yield a set of IUE high dispersion spectra whose scientific integrity is sign ificantly better than the NEWSIPS products. This work has been supported by NASA ADP grants.

Lawton, Patricia J.↗