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At least 127 records · Page 7

Interpretable Machine Learning Models for Practical Antimonate Electrocatalyst Performance

Computationally predicting the performance of catalysts under reaction conditions is a challenging task due to the complexity of catalytic surfaces and their evolution in situ, different reaction paths, and the presence of solid-liquid interfaces in the case of electrochemistry. We demonstrate here how relatively simple machine learning models can be found that enable prediction of experimentally observed onset potentials. Inputs to our model are comprised of data from the oxygen reduction reaction on non-precious transition-metal antimony oxide nanoparticulate catalysts with a combination of experimental conditions and computationally affordable bulk atomic and electronic structural descriptors from density functional theory simulations. From human-interpretable genetic programming models, we identify key experimental descriptors and key supplemental bulk electronic and atomic structural descriptors that govern trends in onset potentials for these oxides and deduce how these descriptors should be tuned to increase onset potentials. Here, we finally validate these machine learning predictions by experimentally confirming that scandium as a dopant in nickel antimony oxide leads to a desired onset potential increase. Macroscopic experimental factors are found to be crucially important descriptors to be considered for models of catalytic performance, highlighting the important role machine learning can play here even in the presence of small datasets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Interplay between Catalyst Corrosion and Homogeneous Reactive Oxygen Species in Electrochemical Ozone Production

In this study, electrochemical ozone production (EOP), a six-electron water oxidation reaction, offers promising avenues for creating value-added oxidants and disinfectants. However, progress in this field is slowed by a dearth of understanding of fundamental reaction mechanisms. In this work, we combine experimental electrochemistry, spectroscopic detection of reactive oxygen species (ROS), oxygen-anion chemical ionization mass spectrometry, and computational quantum chemistry calculations to determine a plausible reaction mechanism on nickel- and antimony-doped tin oxide (Ni/Sb–SnO 2 , NATO), one of the most selective EOP catalysts. Antimony doping is shown to increase the conductivity of the catalyst, leading to improved electrochemical performance. Spectroscopic analysis and electrochemical experiments combined with quantum chemistry predictions reveal that hydrogen peroxide (H 2 O 2 ) is a critical reaction intermediate. We propose that leached Ni 4+ cations catalyze hydrogen peroxide into solution phase hydroperoxyl radicals ( • OOH); these radicals are subsequently oxidized to ozone. Isotopic product analysis shows that ozone is generated catalytically from water and corrosively from the catalyst oxide lattice without regeneration of lattice oxygens. Further quantum chemistry calculations and thermodynamic analysis suggest that the electrochemical corrosion of tin oxide itself might generate hydrogen peroxide, which is then catalyzed to ozone. The proposed pathways explain both the roles of dopants in NATO and its lack of stability. Our study interrogates the possibility that instability and electrochemical activity are intrinsically linked through the formation of ROS. In doing so, we provide the first mechanism for EOP that is consistent with computational and experimental results and highlight the central challenge of instability as a target for future research efforts.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Stress- and interface-compatible red phosphorus anode for high-energy and durable sodium-ion batteries

Sodium-ion battery is a promising candidate for energy storage application, but the absence of high-capacity and low-cost anode materials significantly limit their practical specific energy and cost. Red phosphorus (RP) possesses a high theoretical specific capacity but suffers from large volume change, low electronic conductivity and unstable solid-electrolyte interphase (SEI). Herein, a hierarchical micro/nanostructured antimony-doped RP/carbon anode was developed, which demonstrate extraordinary electrochemical performance with high initial Coulombic efficiency of ~90%, high areal (~1.7 mAh cm-2) capacity together with good cycle stability and rate capability. Combined experimental and computational studies consistently revealed that such a unique structural design can dramatically accommodate the mechanical stress and moreover effectively restrain the undesired decomposition of electrolyte solvents regardless of electrolytes formulation, resulting in superior structural integrity and thin/robust SEI formation during cycling. The present finding has offered an alternative strategy for stress management and interface engineering on high-capacity alloying-based anode materials.

Liu, Xiang↗

New Trick for an Old Dog: From Prediction to Properties of “Hidden Clathrates” Ba 2 Zn 5 As 6 and Ba 2 Zn 5 Sb 6

The zinc–antimony phase space has been heavily investigated due to the structural complexity and abundance of high-performing thermoelectric materials. Consequentially, the desire to use zinc and antimony as framework elements to encage rattling cations and achieve phonon-glass-electron-crystal-type properties has remained an enticing goal with only two alkali metal clathrates to date, Cs 8 Zn 18 Sb 28 and K 58 Zn 122 Sb 207 . Guided by Zintl electron-counting predictions, here we explored the Ba–Zn–Pn (Pn = As, Sb) phase space proximal to the expected composition of the type-I clathrate. In situ powder X-ray diffraction studies revealed two “hidden” compounds which can only be synthesized in a narrow temperature range. The ex situ synthesis and crystal growth unveiled that instead of type-I clathrates, compositionally close but structurally different new clathrate-like compounds formed, Ba 2 Zn 5 As 6 and Ba 2 Zn 5 Sb 6 . These materials crystallize in a unique structure, in the orthorhombic space group Pmna with the Wyckoff sequence i 2 h 6 gfe. Single-phase synthesis enabled the exploration of their transport properties. Rattling of the Ba cations in oversized cages manifested low thermal conductivity, which, coupled with the high Seebeck coefficients observed, are prerequisites for a promising thermoelectric material. Potential for further optimization of the thermoelectric performance by aliovalent doping was computationally analyzed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Photovoltage behaviour of p-Sb 2 S 3 photocathodes for hydrogen evolution: effect of n-In 2 S 3 passivation layers

The 1.76 eV band gap of antimony(iii) sulphide (Sb 2 S 3 ) makes this semiconductor material a promising light absorber for photoelectrochemical water splitting, but scalable fabrication approaches to efficient devices are still lacking. Here we show that compact Sb 2 S 3 films on FTO can be obtained by electrochemical growth from aqueous colloidal sulphur and antimony trichloride solutions, followed by mild annealing. These films can be converted into hydrogen evolution photocathodes after coating with In 2 S 3 passivation layers and the addition of Pt proton reduction co-catalysts. For the first time, vibrating Kelvin probe surface photovoltage (VKP-SPV) spectroscopy is used to observe the carrier dynamics in such photoelectrodes. While the bare Sb 2 S 3 films suffer from high surface recombination rates and poor electron extraction, the In 2 S 3 overlayer is found to raise the photovoltage and cathodic photocurrent density, due to passivation of surface defects and formation of a p–n heterojunction. In thick In 2 S 3 films, these benefits are offset by shading and slow electron transfer. Also, we find that O 2 strongly affects the band bending in the Sb 2 S 3 –air and In 2 S 3 –air junctions and their photovoltage. The optimised devices evolve H 2 at 77.5% Faradaic efficiency and with 0.084% applied bias photon-to-current efficiency (ABPE) at 0.12 V vs. RHE. The low ABPE value is attributed to Sb 2 S 3 sub-bandgap defects visible in SPV spectra, the random orientation of Sb 2 S 3 crystallites in the films, which inhibits charge transport, the absence of crystal facets of Sb 2 S 3 , and a detrimental Schottky junction at the FTO|Sb 2 S 3 interface.

de Araújo, Moisés A. [University of California, Da↗

Magneto-optical response of the magnetic semiconductors EUCd 2 X 2 (X = P, As, SB)

n this study, we identify EuCd 2 X 2 (for X = P, As, Sb) as a series of magnetic semiconductors. We examine how the band gap of the series responds to X changing from phosphorus (P), to arsenic (As), and finally antimony (Sb). We characterize the samples using electronic transport and magnetization measurements. Based on infrared spectroscopy, we find that the band gap reduces progressively from 1.23 eV in EuCd 2 P 2 , to 0.77 eV in EuCd 2 As 2 , and finally 0.52 eV in EuCd 2 Sb 2 . In a magnetic field, all three systems show a strong response and their band gaps decrease at 4 K. This decrease is non-monotonic as we change X. It is strongest in the phosphorous compound and weakest in the antimony compound. For all the three compositions, EuCd 2 X 2 remains a semiconductor up to the highest magnetic field applied (16 T).

36 MATERIALS SCIENCE↗

Cation Data for the East River Watershed, Colorado (2014-2025)

This data package contains mean values for cation concentration for water samples taken from the East River Watershed in Colorado. Inductively coupled plasma mass spectrometry (ICP-MS) has been used to measure the concentrations of elements of interest simultaneously for the East River Watershed, Colorado groundwater and surface water samples to inform insights on the biogeochemistry processes within the watershed. The East River is part of the Watershed Function Scientific Focus Area (WFSFA) located in the Upper Colorado River Basin, United States. For samples collected prior to 06-16-2021, the instrumentation, Elan DRC II, PerkinElmer SCIEX, automatically switches among the three models necessary to analyze all 37 elements. These 37 elements include: (1) Lithium (Li), Beryllium (Be), Boron (B), Sodium (Na), Magnesium (Mg), Aluminium (Al), Silicon (Si), Phosphorus (P), Titanium (Ti), Cobalt (Co), Nickel (Ni), Copper (Cu), Zinc (Zn), Germanium (Ge), Arsenic (As), Rubidium (Rb), Strontium (Sr), Zirconium (Zr), Molybdenum (Mo), Silver (Ag), Cadmium (Cd), Tin (Sn), Antimony (Sb), Caesium (Cs), Barium (Ba), Europium (Eu), Lead (Pb), Thorium (Th), Uranium (U) using standard model, argon Ar as reaction gas, (2) Potassium (K), Calcium (Ca), Vanadium (V), Chromium (Cr), Manganese (Mn), Iron (Fe) using dynamic reaction cell (DRC) model, ammonia NH3 as reaction gas, and (3) Phosphorus (P) and Selenium (Se) using DRC model, oxygen O2 as reaction gas. Note for the samples with higher concentrations of chloride (Cl-), asenic (As) concentrations were analysed with DRC model (oxygen O2 as reaction gas) to avoid the interference of chloride. For samples collected on and after 06-16-2021, an advanced Agilent 8900 triple quadrupole inductively coupled plasma mass spectrometry system (Agilent 8900 QQQ ICP-MS, Agilent Technologies) has been used to measure the concentrations of interested 36 elements simultaneously for environmental samples, including (1) Lithium (Li), Beryllium (Be) and Boron (B) using standard no gas mode, (2) Sodium (Na), Magnesium (Mg), Aluminium (Al) Phosphorus (P), Potassium (K), Chromium (Cr), Manganese (Mn), Iron (Fe), Cobalt (Co), Nickel (Ni), Copper (Cu), Zinc (Zn), Germanium (Ge), Arsenic (As), Rubidium (Rb), Strontium (Sr), Zirconium (Zr), Molybdenum (Mo), Silver (Ag), Cadmium (Cd), Tin (Sn), Antimony (Sb), Cesium (Cs), Barium (Ba), Europium (Eu), Lead (Pb), Thorium (Th) and Uranium (U) using standard helium (He) collision mode, (3) Titanium (Ti) and Vanadium (V) using high Energy (HEHe) helium (He) collision mode, and (4) Silicon (Si), Calcium (Ca) and Selenium (Se) using standard H2 reaction mode. All samples were prepared/diluted with 2% (v/v) ultrapure nitric acid in Milli-Q water (18.2 mega ohm-cm), and analyzed under a rigorous quality assurance and quality control (QA/QC) process. This data package contains (1) a zip file (cation_data_2014_2025.zip) containing a total of 5,849 files: 5.848 data files of cation data from across the Lawrence Berkeley National Laboratory (LBNL) Watershed Function Scientific Focus Area (SFA) which is reported in .csv files per location and a locations.csv (1 file) with latitude and longitude for each location; (2) a file-level metadata (v6_20260901_flmd.csv) file that lists each file contained in the dataset with associated metadata; (3) a data dictionary (v6_20260901_dd.csv) file that contains terms/column_headers used throughout the files along with a definition, units, and data type; (4) PDF and docx files for the detemination of Method Detection Limits (MDLs) for ICP-MS PerkinElmer DRC II instrumentation (Detemination_of_Method_Detection_Limits__MDLs__for_ICP_MS__PerkinElmer_Elan_DRC_II__LBL_Bldg74_Lab214D) for samples before November 2021; (5) PDF and docx files for the determination of MDLs for ICP-MS Agilent 8900 QQQ instrumentation (ICP_MS_Analysis_detection_limits_and_QA_QC_WenmingDong_updated_2026-08-06) for samples November 2021 and onward. Missing values within the anion data files are noted as either "-9999" or "0.0" for not detectable (N.D.) data. There are a total of 113 locations containing cation data. Update on 2021-04-11: Added Detemination of Method Detection Limits (MDLs) for ICP-MS document, which can be accessed as a PDF or with Microsoft Word. Update on 2022-06-10: versioned updates to this dataset was made along with these changes: (1) updated cation data for all locations up to 2021-12-31, (2) removal of units from column headers in datafiles, (3) added row underneath headers to contain units of variables, (4) removed suffix and prefix on two variables (“aqberylliumion_asberyllium” and “aqlithiumion_aslithium”), (5) added -9999 for empty numerical cells, and (6) the addition of the file-level metadata (flmd.csv) and data dictionary (dd.csv) were added to comply with the File-Level Metadata Reporting Format. Update on 2022-09-09: Updates were made to reporting format specific files (file-level metadata and data dictionary) to correct swapped file names, add additional details on metadata descriptions on both files, add a header_row column to enable parsing, and add version number and date to file names (v2_20220909_flmd.csv and v2_20220909_dd.csv). Update on 2023-08-08: Updates were made to both the data files and reporting format specific files. New available anion data was added, up until 2023-01-05. The file level metadata and data dictionary files were updated to reflect the additional data added. Update on 2024-03-11: Updates were made to both the data files and reporting format specific files. New available anion data was added, up until 2023-10-16. Further, revisions to the data files were made to remove incorrect data points (from 1970 and 2001). The reporting format specific files were updated to reflect the additional data added. Updated versions of the PDF and docx files for determination of MDLs for ICP-MS data were added to this dataset for samples starting in November 2021. Update on 2025-05-15: Updates were made to both the data files and reporting format specific files. New available cation data was added, up until the end of WY2024 (September 30, 2024). International Generic Sample Numbers (IGSNs), when registered, were added to the data files. The reporting format specific files were updated to reflect the additional data added. Update on 2026-09-01: Updates were made to both the data files and reporting format specific files. New available cation data was added, up until the end of WY2025 (September 30, 2025). Updated versions, as of 2026-08-06, of the PDF and docx files for determination of MDLs for ICP-MS data were added to this dataset for samples starting in November 2021.

54 ENVIRONMENTAL SCIENCES↗

High Performance non-PGM Transition Metal Oxide ORR Catalysts of PEMFCs

This project was designed to develop acid-stable PGM-free transition metal oxide oxygen reduction reaction (ORR) electrocatalysts to meet or exceed the performance and durability of the DOE 2020 Technical Targets for platinum-group metal (PGM) free electrocatalysts from first-principles to incorporation into membrane-electrode assemblies (MEAs) for polymer electrolyte membrane (PEM) fuel cells. The planned project was to accomplish this goal with a multi-step approach: 1) materials modeling and experimental screening to identify acid-stable oxides with high ORR activity, 2) optimization of catalyst particle size and catalyst/carbon/ionomer catalyst layer composition, 3) fabrication of MEAs for performance and durability testing. During the course of this project: 1) acid-stability descriptors were developed for manganese oxides; 2) a family of acid-stable multicomponent oxides based on antimony were developed; 3) a flexible synthesis for the formation of nanocrystalline nonstoichiometric oxides was developed; 4) limited ORR activity but modest and improving oxygen evolution reaction (OER) activity was measured for multicomponent antimony oxides. The project was programmed into five technical tasks: The development of acid-stable ORR electrocatalytic oxides through 1) identification and optimization of acid-stable oxide compositions, and 2) electrochemical characterization; 3) optimization of catalyst layer composition for MEAs using identified ORR electrocatalysts; 4) MEA fabrication and performance testing to result in performance of 44 mA-cm-2 at 0.9 V vs. RHE; and 5) accelerated-stress testing of optimized MEAs. Because no acid-stable oxide was identified with the requisite activity for ORR (4.4 µA-cm-2oxide intrinsic activity at 0.9 V vs. RHE) within the time and budget allotted in Tasks 1 and 2, the project was halted at the end of phase 1, with no activity in Tasks 3-5. The research output, while not succeeding in developing ORR electrocatalysts, advanced the development of acid-stable oxide materials, showing potential for further improvement as OER electrocatalysts.

08 HYDROGEN↗

Filter development for the extreme ultraviolet explorer

Thin film filters with extreme ultraviolet bandpasses unattainable with previously available filter materials were developed. Titanium and antimomy were identified as the most promising materials for providing the scientifically important 350-500 A bandpass heretofore unattainable with thin film filters. Titanium foils and titanium-antimony sandwich foils of the required uniformity and durability were fabricated. Transmission measurements and optimization studies indicate that the titanium-antimony combination provides an ideal bandpass for scientifically valuable, high-sensitivity observations with EUVE. Environmental testing of the mechanical strength, moisture sensitivity and aging characteristics of the newly developed filter materials demonstrate flightworthy performance.

Kimble, R.↗

Heat sealable, flame and abrasion resistant coated fabric

Flame retardant, abrasion resistant elastomeric compositions are comprised of thermoplastic polyurethane polymer and flame retarding amounts of a filler selected from decabromodiphenyloxide and antimony oxide in a 3:1 weight ratio, and decabromodiphenyloxide, antimony oxide, and ammonium polyphosphate in a 3:1:3 weight ratio respectively. Coated fabrics employing such elastomeric compositions as coating film are flexible, lightweight, and air impermeable and can be made using heat or dielectric sealing procedures.

Tschirch, R. P.↗

Heat sealable, flame and abrasion resistant coated fabric

Flame retardant, abrasion resistant elastomeric compositions are disclosed which are comprised of thermoplastic polyurethane polymer and flame retarding amounts of a filler selected from decabromodiphenyloxide and antimony oxide in a 3:1 weight ratio, and decabromodiphenyloxide, antimony oxide, and ammonium polyphosphate in a 3:1:3 weight ratio respectively. Heat sealable coated fabrics employing such elastomeric compositions as coating film are produced by dissolving the elastomeric composition to form a solution, casting the solution onto a release paper and drying it to form an elastomeric film. The film is then bonded to a woven, knitted, or felted fabric.

Tschirch, R. P.↗

El Chichon - Composition of plume gases and particles

Aircraft measurements were made of trace gases, atmospheric particles, and condensed acid volatiles in the plume of El Chichon volcano, Chiapas, Mexico, in November 1982. Hydrogen sulfide was the primary gaseous sulfur species in the plume at the time of collection. Concentrations of 28 elements were determined by neutron activation analysis of particulate material from the plume. The volatile elements sulfur, chlorine, arsenic, selenium, bromine, antimony, iodine, tungsten, and mercury were enriched relative to bulk pyroclastic material by factors of 60 to 20,000. Arsenic, antimony, and selenium were associated predominantly with small (not greater than 3 micrometer) particles. Calcium and sodium were present almost exclusively on larger particles and aluminum and manganese were bimodally distributed. Ashladen particulate material injected into the stratosphere during the early violent eruptions was enriched by factors of 10 to 30 relative to ash in some of the same elements observed in the quiescent plume.

Kotra, J. P.↗

The influence of Sb doping on the growth and electronic properties of GaAs(100) and AlGaAs(100)

Isoelectronic doping using antimony has been shown to reduce traps and improve material properties during epitaxial growth of Si doped GaAs(100) and AlGaAs(100). In this study, the effect of the antimony dopant on the optimal growth temperature is examined with the aim of producing high-quality heterostructures at lower temperatues. High-quality films of GaAs and AlGaAs have been grown by molecular-beam epitaxy at the normal growth temperatures of 610 and 700 C, respectively, and 50-100 C below this temperature using varying small amounts of Sb as a dopant. Electrical properties of the films were then examined using Hall mobility measurements and deep-level transient spectroscopy.

Jamison, K. D.↗

The development of infrared detectors and mechanisms for use in future infrared space missions

The environment above earth's atmosphere offers significant advantages in sensitivity and wavelength coverage in infrared astronomy over ground-based observatories. In support of future infrared space missions, technology development efforts were undertaken to develop detectors sensitive to radiation between 2.5 micron and 200 micron. Additionally, work was undertaken to develop mechanisms supporting the imaging and spectroscopy requirements of infrared space missions. Arsenic-doped-Silicon and Antimony-doped-Silicon Blocked Impurity Band detectors, responsive to radiation between 4 micron and 45 micron, were produced in 128x128 picture element arrays with the low noise, high sensitivity performance needed for space environments. Technology development continued on Gallium-doped-Germanium detectors (for use between 80 micron and 200 micron), but were hampered by contamination during manufacture. Antimony-doped-Indium detectors (for use between 2.5 micron and 5 micron) were developed in a 256x256 pixel format with high responsive quantum efficiency and low dark current. Work began on adapting an existing cryogenic mechanism design for space-based missions; then was redirected towards an all-fixed optical design to improve reliability and lower projected mission costs.

Houck, James R.↗

High Electron Mobility SiGe/Si Transistor Structures on Sapphire Substrates

SiGe/Si n-type modulation doped field effect structures and transistors (n-MODFETs) have been fabricated on r-plane sapphire substrates. The structures were deposited using molecular beam epitaxy, and antimony dopants were incorporated via a delta doping process. Secondary ion mass spectroscopy (SIMS) indicates that the peak antimony, concentration was approximately 4 x 10(exp19) per cubic cm. The electron mobility was over 1,200 and 13,000 sq cm/V-sec at room temperature and 0.25 K, respectively. At these two temperatures, the electron carrier densities were 1.6 and 1.33 x 10(exp 12) per sq cm, thus demonstrating that carrier confinement was excellent. Shubnikov-de Haas oscillations were observed at 0.25 K, thus confirming the two-dimensional nature of the carriers. Transistors, with gate lengths varying from 1 micron to 5 microns, were fabricated using these structures and dc characterization was performed at room temperature. The saturated drain current region extended over a wide source-to-drain voltage (V(sub DS)) range, with (V(sub DS)) knee voltages of approximately 0.5 V and increased leakage starting at voltages slightly higher than 4 V.

Alterovitz, Samuel A.↗

High Electron Mobility SiGe/Si Transistor Structures on Sapphire Substrates

SiGe/Si n-type modulation doped field effect structures and transistors (n-MODFETs) have been fabricated on r-plane sapphire substrates. The structures were deposited using molecular beam epitaxy, and antimony dopants were incorporated via a delta doping process. Secondary ion mass spectroscopy (SIMS) indicates that the peak antimony concentration was approximately 4 x 10(exp 19) per cubic centimeter. At these two temperatures, the electron carrier densities were 1.6 and 1.33 x 10(exp 12) per square centimeter, thus demonstrating that carrier confinement was excellent. Shubnikov-de Haas oscillations were observed at 0.25 K, thus confirming the two-dimensional nature of the carriers. Transistors, with gate lengths varying from 1 micron to 5 microns, were fabricated using these structures and dc characterization was performed at room temperature. The saturated drain current region extended over a wide source-to-drain voltage (V (sub DS)) range, with V (sub DS) knee voltages of approximately 0.5 V and increased leakage starting at voltages slightly higher than 4 V.

Alterovitz, Samuel A.↗

N-Type delta Doping of High-Purity Silicon Imaging Arrays

A process for n-type (electron-donor) delta doping has shown promise as a means of modifying back-illuminated image detectors made from n-doped high-purity silicon to enable them to detect high-energy photons (ultraviolet and x-rays) and low-energy charged particles (electrons and ions). This process is applicable to imaging detectors of several types, including charge-coupled devices, hybrid devices, and complementary metal oxide/semiconductor detector arrays. Delta doping is so named because its density-vs.-depth characteristic is reminiscent of the Dirac delta function (impulse function): the dopant is highly concentrated in a very thin layer. Preferably, the dopant is concentrated in one or at most two atomic layers in a crystal plane and, therefore, delta doping is also known as atomic-plane doping. The use of doping to enable detection of high-energy photons and low-energy particles was reported in several prior NASA Tech Briefs articles. As described in more detail in those articles, the main benefit afforded by delta doping of a back-illuminated silicon detector is to eliminate a "dead" layer at the back surface of the silicon wherein high-energy photons and low-energy particles are absorbed without detection. An additional benefit is that the delta-doped layer can serve as a back-side electrical contact. Delta doping of p-type silicon detectors is well established. The development of the present process addresses concerns specific to the delta doping of high-purity silicon detectors, which are typically n-type. The present process involves relatively low temperatures, is fully compatible with other processes used to fabricate the detectors, and does not entail interruption of those processes. Indeed, this process can be the last stage in the fabrication of an imaging detector that has, in all other respects, already been fully processed, including metallized. This process includes molecular-beam epitaxy (MBE) for deposition of three layers, including metallization. The success of the process depends on accurate temperature control, surface treatment, growth of high-quality crystalline silicon, and precise control of thicknesses of layers. MBE affords the necessary nanometer- scale control of the placement of atoms for delta doping. More specifically, the process consists of MBE deposition of a thin silicon buffer layer, the n-type delta doping layer, and a thin silicon cap layer. The n dopant selected for initial experiments was antimony, but other n dopants as (phosphorus or arsenic) could be used. All n-type dopants in silicon tend to surface-segregate during growth, leading to a broadened dopant-concentration- versus-depth profile. In order to keep the profile as narrow as possible, the substrate temperature is held below 300 C during deposition of the silicon cap layer onto the antimony delta layer. The deposition of silicon includes a silicon- surface-preparation step, involving H-termination, that enables the growth of high-quality crystalline silicon at the relatively low temperature with close to full electrical activation of donors in the surface layer.

Blacksberg, Jordana↗

Performance test results of a skutterudite-based unicouple with a metallic coating

A performance test of a Skutterudite-based unicouple (MAY-04) with a metallic coating to suppress the sublimation of antimony from the legs near the hot junction is performed in vacuum (~ 9 x10-7 torr) for ~ 2,000 hours at hot and cold junction temperatures of 892.1 + 11.9 K and 316.1 + 5.5 K, respectively. The p-leg is made of CeFe3.5Co0.5Sb12 and the n-leg is made of CoSb3. Presented are the measured voltage-current characteristics, electrical power, open-circuit voltage, and Seebeck coefficients of the legs as functions of cumulative test time. Also presented is the estimate of the conversion efficiency, shortly (~ 96 hrs) after the start of test. To demonstrate the effectiveness of the metallic coating, the measurements for MAY-04 are compared with those of two uncoated unicouples of the same leg materials (MAR-03 and JUN-03), which had been tested earlier. The cross-sectional areas of the legs in MAY-04 are larger than those in MAR-03 and JUN-03, tested in argon cover gas at ~ 0.051-0.068 MPa for 450 and 1200 hours, respectively. The open circuit voltage, Voc (204 mV) of MAY-04 at Beginning-Of-Test (BOT) is almost the same as that of MAR-03, but higher than that of JUN-03 (~180 mV). Although the argon gas effectively decreased antimony loss from legs of MAR-03 and JUN-03, marked degradations in performance occurred with time in these tests. Conversely, the metallic coating in MAY-04 effectively reduced the performance degradation with cumulative test time. The estimated peak efficiency of MAY-04, shortly after BOT (10.65%) is only ~ 0.37 percentage point lower than the theoretical value, assuming zero side heat losses and zero contact resistance per leg. The peak power of MAY- 04 decreased by only ~12%, from its BOT value of ~1.6 We to ~ 1.4 We after ~ 2,000 of cumulative testing

Caillat, Thierry↗