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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 991 records · Page 55
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Tunnel oxide passivating contact enabled by polysilicon on ultra-thin SiO 2 for advanced silicon radiation detectors

Conventional silicon junction detectors encounter significant carrier recombination within the heavily doped p⁺ and n⁺ layers, as well as beneath the metal contact regions, creating the so-called “dead layers”, especially on the detector side. In this study, we present the tunnel oxide passivating contact with doped polysilicon on oxide, which demonstrates exceptional surface passivation and carrier selectivity. The key innovation lies in an ultra-thin (~ 1.5 nm) interfacial oxide layer that facilitates efficient majority carrier transportation via tunneling while effectively block minority carriers. Remarkably low saturation current densities, ranging from 5 to 10 fA/cm² even with the metal contact, underscore the superiority of both n-type and p-type tunnel oxide passivating contacts. In contrast, conventional p–n junction or high-low junction exhibit saturation current densities ranging from 10 to 90 fA/cm² in the studied p⁺ and n⁺ layers with surface passivation schemes due to Auger recombination and surface recombination, and 1000–6000 fA/cm² with metal contacts due to intense metal-induced recombination at the interface. These findings indicate the potential and superiority of implementing n-type tunnel oxide passivating contact on the detector side and p-type contact on the back side for advanced silicon radiation detectors. This approach would enable thorough collection of generated charge carriers along the track of incident ionizing radiation particles, leading to improved energy resolution and reduced noise levels.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2019

Erbium doped anatase TiO{sub 2} nanoparticles for photovoltaic applications

Doping of rare earth metal erbium (Er) into the nanocrystalline titanium dioxide (TiO{sub 2}) was identified to enhance the performance of photocatalytic and photovoltaic applications. Herein, TiO{sub 2} was doped with different concentrations of erbium through hydrothermal method and then employed to photocatalytic and photovoltaic applications. XRD, FT-IR, TEM, AFM, UV–visible DRS and photocatalytic measurements were carried out to examine the impact of erbium doping on TiO{sub 2}. The photovoltaic study revealed that the Er doped TiO{sub 2} exhibited the better power conversion efficiency with high short-circuit current density (J{sub sc}) and open-circuit voltage (V{sub oc}). This enhancement may be due to the reduced charge recombination, increased dye absorption ability and fast photoelectron injection.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Photoelectrocatalytic reduction of CO 2 to formate using immobilized molecular manganese catalysts on oxidized porous silicon

The reduction of carbon dioxide (CO 2 ) to formate using molecular catalysts immobilized on high surface area porous silicon is described. Manganese complexes of the type ( R bpy)Mn(CO) 3 Br (bpy = 2,2′-bipyridine) were prepared with silatrane groups on the bpy ligand for attachment to oxide-coated porous silicon (SiO x -porSi). SiO x -porSi wafers were formed by heating hydrogen-terminated p-type porous silicon wafers under air, and the manganese complexes were immobilized on SiO x -porSi by heating at 80°C. The resulting hybrid photoelectrodes are photoelectrocatalysts for CO 2 reduction in acetonitrile containing 2.0 M triethylamine and 2.0 M isopropanol, yielding formate with high selectivity (>96%) and current density (∼0.6 mA/cm 2 ), excellent reproducibility, and a photovoltage of 280 mV at −1.75 V (versus ferrocenium/ferrocene) under 1 sun illumination. Here, the applied potential is close to the equilibrium potential for CO 2 reduction to formate. This work presents rare examples of immobilized molecular catalysts for CO 2 reduction to formate and the first on semiconducting silicon.

13 HYDRO ENERGY↗
DOE OSTI2015

Catalytic activity in lithium-treated core–shell MoO x /MoS 2 nanowires

Significant interest has grown in the development of earth-abundant and efficient catalytic materials for hydrogen generation. Layered transition metal dichalcogenides present opportunities for efficient electrocatalytic systems. Here, we report the modification of 1D MoO x /MoS 2 core–shell nanostructures by lithium intercalation and the corresponding changes in morphology, structure, and mechanism of H 2 evolution. The 1D nanowires exhibit significant improvement in H 2 evolution properties after lithiation, reducing the hydrogen evolution reaction (HER) onset potential by ~50 mV and increasing the generated current density by ~600%. The high electrochemical activity in the nanowires results from disruption of MoS 2 layers in the outer shell, leading to increased activity and concentration of defect sites. This is in contrast to the typical mechanism of improved catalysis following lithium exfoliation, i.e., crystal phase transformation. As a result, these structural changes are verified by a combination of Raman and X-ray photoelectron spectroscopy (XPS).

08 HYDROGEN↗
DOE OSTI2022

Assessment of Protective Coatings for Metal-Supported Solid Oxide Electrolysis Cells

Green hydrogen is essential to achieving carbon neutrality, and solid oxide electrolysis cells can produce hydrogen using renewable power and waste heat. Insufficient long-term durability of solid oxide electrolysis cells has impeded their commercialization. Here, coatings in the porous stainless steel support of metal-supported solid oxide electrolysis cells (MS-SOECs) are used to dramatically improve their performance and durability. The long-term degradation rate of uncoated MS-SOECs is highly dependent on the current density, with the fastest degradation occurring at the highest current density tested, 0.5 A cm -2 . At this current density, coatings are quite effective. Three protective coatings, Co 3 O 4 deposited by atomic layer deposition (ALD), Co 3 O 4 deposited by electroplating deposition (ED), and CuMn 1.8 O 4 (CMO) deposited by electrophoretic deposition (EPD), are explored to enhance the performance of MS-SOECs with La 0.6 Sr 0.4 Co 0.2 Fe 0.8 O 3 -Sm 0.2 Ce 0.8 O 3 (LSCF-SDC) as the oxygen catalyst and SDC-Ni as the fuel catalyst. The initial average current density at 1.4 V is increased with coatings. It is 0.83 mA cm -2 for the ALD cells, 1.05 mA cm -2 for the ED cells, and 1.13 mA cm -2 for the EPD cells, compared to 0.65 mA cm -2 for the bare cells at 700 °C with 50% H 2 -50% H 2 O. The degradation rate over 1000 h of continuous operation is reduced from 36% to 26%, 27%, and 19% kh -1 with the three coatings, respectively. Furthermore, these improvements are ascribed to reduced Cr poisoning on the oxygen catalyst, which is one of the primary degradation modes for this type of MS-SOEC.

25 ENERGY STORAGE↗
DOE OSTI2018

Effect of the Molecular Configuration of Perylene Diimide Acceptors on Charge Transfer and Device Performance

Three perylene diimides (PDI)-based small molecules, T2-SePDI2, T3B-SePDI3, and T4B-SePDI4, with different molecular configurations are synthesized. Due to a large steric hindrance, the molecular configuration of T3B-SePDI3 is the most distorted, followed by T4BSePDI4, while T2-SePDI2 shows the smallest steric hindrance. Inverted bulk heterojunction solar cells based on T3B-SePDI3 and PBDB-T show the highest power conversion efficiency (PCE) of 5.82% with an open-circuit voltage of 0.98 V, a high short-circuit current density of 10.52 mA/cm2, and a fill factor of 56.31%. The PCEs of the T2-SePDI2- and T4B-SePDI4- based devices are 4.10% and 5.10%, respectively. Furthermore, the results demonstrate that the molecular configuration of the PDI-based small molecule acceptor is critical and that increasing the steric hindrance is helpful in suppressing aggregation and improving device performance.

14 SOLAR ENERGY↗
DOE OSTI2018

Alkyl Chain End Group Engineering of Small Molecule Acceptors for Non-Fullerene Organic Solar Cells

Alkyl chain engineering is widely used to prepare high-performance donor materials. However, relatively few studies have been focused on the alkyl chain optimization of acceptor materials. Herein, a series of new A-D-A (acceptor-donor-acceptor) type small molecule acceptors (ITBTR-C2, ITBTR-C4, ITBTR-C6, and ITBTR-C8) with indacenodithieno[3,2-b]thiophene (IDTT) as the core, benzothiadiazole (BT) as the π bridge, and ethyl-, butyl-, hexyl-, and octyl-substituted 2-(1,1-dicyanomethylene) rhodanine as the end groups, respectively, are successfully synthesized to systematically investigate the alkyl substituent effects on the physical, chemical, and electronic properties of A-D-A type small molecule acceptors. All molecules exhibit a strong and broad absorption from 600 to 800 nm as well as similar HOMO and LUMO energy levels. ITBTR-C6 with hexyl substitution showed the highest electron mobility and better phase separation morphology after blending with a donor polymer (PBDB-T). Therefore, inverted bulk heterojunction organic solar cells based on ITBTR-C6:PBDB-T blends exhibit the highest power conversion efficiency (PCE) of 8.26% with an open-circuit voltage ( V OC ) of 0.89 V, a high short-circuit current density ( J SC ) of 15.80 mA/cm2, and a fill factor (FF) of 58.21%, while the PCEs of ITBTR-C2-, ITBTR-C4-, and ITBTR-C8-based devices are 7.04%, 7.43%, and 7.93%, respectively. After solvent vapor and thermal annealing, both the J SC and FF values of the ITBTR-C6-based device further increased, leading to a PCE of 9.29%. Furthermore, the results demonstrate that the alkyl chain substitution of A-D-A type small molecule acceptors is critical, and an appropriate adjustment of the alkyl chains can effectively enhance device performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Controlling Mass Transport in Direct Carbon Dioxide Zero-Gap Electrolyzers via Cell Compression

The development of high-performance CO 2 electrolyzers is crucial for accelerating the sustainable production of fuels and chemicals integrated with renewable energy sources. Here, we introduce a methodology to actively control mass transport inside a realistic zero-gap membrane electrode assembly of a CO 2 electrolyzer by varying the gasket thickness, which consequently changes the cell compression. This allows control over the thickness and porosity of the gas diffusion electrodes, influencing the overall electrolyzer performance, as demonstrated using Ag-deposited electrodes. At low operating voltages (<2.9 V), both high- and low-compression electrolyzers exhibit similar faradaic efficiencies and partial current densities for CO formation. However, at high voltages, the low-compression electrolyzer with high electrode porosity demonstrates superior CO selectivity and activity with suppressed H 2 formation. These experimental results are validated by the computational membrane electrode assembly (MEA) model developed by using the measured in situ electrode thicknesses and electrode porosities. Additionally, liquid electrolyte saturation at the catalyst layer is found to play a dominant role in determining the mass transport, resulting in a decreased electrolyzer performance with low electrode porosity. Finally, the systematic investigation in this study improves the understanding of the transport dynamics in MEA-based devices and provides insights into optimizing device design parameters for industry-relevant CO 2 electrolysis.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2026

Interfacial Charge Transfer Pathways in Photoelectrochemical H 2 Evolution by a Single-Component Molecular Catalyst on a Conductive Metal Oxide

Dye-sensitized photoelectrosynthesis cells traditionally combine a photosensitizing dye to harvest light and a catalyst to generate chemical fuels on a semiconductor. Here, in this work, a photoactive catalyst capable of both light absorption and fuel formation, [Cp*Ir(4,4′-Y 2 -bpy)Cl][Cl] (Cp* = pentamethylcyclopentadienyl, bpy = 2,2′-bipyridine, Y = CH 2 PO 3 H 2 ), is anchored to a mesoporous tin-doped indium oxide (ITO) electrode and facilitates photoelectrochemical H 2 evolution in water without the need for additional photosensitizers or sacrificial reductants. Spectroelectrochemistry indicates a single-site H 2 evolution mechanism involving charge injection to ITO, in contrast to the bimetallic mechanism observed in solution. Cyclic voltammetry and variable-potential chronoamperometry under illumination probe competing pathways via interfacial electron transfer between the Ir hydride excited state and the conductive ITO electrode. A Marcus theory framework provides reorganization energies for competing interfacial electron transfer pathways from potential-dependent quantum yield measurements. The light-driven H 2 evolution catalysis on conducting oxide proceeds with high Faradaic efficiency and current densities comparable to photoelectrodes utilizing p-type semiconductors. By uncovering the principal electron transfer pathways that govern photocatalytic efficiency, this study establishes design principles for hybrid molecular photoelectrocatalysts.

catalysts↗
DOE OSTI2015

Electron-Selective TiO 2 Contact for Cu(In,Ga)Se 2 Solar Cells

The non-toxic and wide bandgap material TiO 2 is explored as an n-type buffer layer on p-type Cu(In,Ga)Se 2 (CIGS) absorber layer for thin film solar cells. The amorphous TiO 2 thin film deposited by atomic layer deposition process at low temperatures shows conformal coverage on the CIGS absorber layer. Solar cells from non-vacuum deposited CIGS absorbers with TiO 2 buffer layer result in a high short-circuit current density of 38.9 mA/cm 2 as compared to 36.9 mA/cm 2 measured in the reference cell with CdS buffer layer, without compromising open-circuit voltage. The significant photocurrent gain, mainly in the UV part of the spectrum, can be attributed to the low parasitic absorption loss in the ultrathin TiO 2 layer (~10 nm) with a larger bandgap of 3.4 eV compared to 2.4 eV of the traditionally used CdS. Overall the solar cell conversion efficiency was improved from 9.5% to 9.9% by substituting the CdS by TiO 2 on an active cell area of 10.5 mm2. In conclusion, optimized TiO 2 /CIGS solar cells show excellent long-term stability. The results imply that TiO 2 is a promising buffer layer material for CIGS solar cells, avoiding the toxic CdS buffer layer with added performance advantage.

14 SOLAR ENERGY↗
DOE OSTI2013

Terahertz free electron superradiation from mimicking surface plasmons-two electron beams interaction within a 3-mirror quasi-optical cavity

Interaction between mimicking surface plasmons and electron beams provides a good opportunity to develop terahertz (THz) radiation sources. In this paper, such an interaction in a special 3-mirror quasi-optical cavity is presented and explored. The 3-mirror quasi-optical cavity acts as a resonant tunable system, the resonance frequency of which can be tuned by adjusting the distance between mirrors. The study demonstrated THz free electron superradiation from the interaction of mimicking surface plasmons and two electron beams that formed a resonance within the structure, with the 3-mirror cavity enhancing the intensity of superradiation. Moreover, this system can work in the high-harmonic superradiation region with relatively high efficiency and low current density. This concept thus shows the application potential for electron-beam-driven terahertz sources.

43 PARTICLE ACCELERATORS↗
DOE OSTI2014

Enhancement in the transport critical current density J{sub c} in YBa{sub 2}Cu{sub 3}O{sub 7−δ} added with an insulating nano crystalline YBa{sub 2}HfO{sub 5.5} perovskite

When a magnetic field is applied to type II superconductors, such as YBa{sub 2}Cu{sub 3}0{sub 7−δ} (YBCO), the flux quanta penetrate the material as a regular array of vortices. However when transport currents are applied, they act to move these vortices, thus lowers the critical current density (J{sub c}) as well as destroying superconductivity. The development of microstructures made of YBCO materials has enabled engineers to increase the critical current density, within Type II materials by introducing flux pinning centres into the material. The microstructure and flux pinning properties of YBa{sub 2}Cu{sub 3}O{sub 7−δ} system with varying levels (0-5 wt. %) of a nano perovskite ceramic insulator; YBa{sub 2}HfO{sub 5.5} addition was studied in detail. Orthorhombic YBa{sub 2}Cu{sub 3}O{sub 7−δ} powder was prepared through conventional solid state route and a modified combustion method was used for synthesizing nanocrystalline YBa{sub 2}HfO{sub 5.5}. The structure and microstructure of the samples examined by X-ray diffraction and scanning electron microscopy showed that YBa{sub 2}HfO{sub 5.5} and YBCO remained unreacted even at higher processing temperature without deteriorating the superconducting properties. The scanning electron microscope image shows that YBa{sub 2}HfO{sub 5.5} forms an electrical-network between grains. These observations suggest that the YBa{sub 2}HfO{sub 5.5} addition to the Y-123-compounds improve the electrical connection between superconducting grains and substantial improvements in the relative electrical transport properties of the composites. The variation of sintering temperature, density, critical transition temperature (T{sub c}) and magnetic field dependence of critical current density (J{sub c}) of YBa{sub 2}Cu{sub 3}O{sub 7−δ} having different proportions of YBa{sub 2}HfO{sub 5.5} in the matrix were also studied in detail. It is found that the addition of these elements considerably enhances the flux pinning strength of the system, and there is also an increase of critical temperature (T{sub c}) and critical current density (J{sub c}) up to an optimum value of 8.76 × 10{sup 4} A/cm{sup 2} for a concentration of 2 wt % addition of nano YBa{sub 2}HfO{sub 5.5}. The enhancement of the critical current density in the YBa{sub 2}Cu{sub 3}O{sub 7−δ} - YBa{sub 2}HfO{sub 5.5} samples is attributed to the sustained formation of the insulating and non-reacting YBa{sub 2}HfO{sub 5.5} phase acting as pinning center. The addition of YBa{sub 2}HfO{sub 5.5} in YBa{sub 2}Cu{sub 3}O{sub 7−δ} bulk superconductor also enhances the pinning force density from 3 ×10{sup 6} N/m{sup 3} to 69.6 × 10{sup 6}N/m{sup 3} at 77 K.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Wave induced density modification in RF sheaths and close to wave launchers

With the return to full metal walls - a necessary step towards viable fusion machines - and due to the high power densities of current-day ICRH (Ion Cyclotron Resonance Heating) or RF (radio frequency) antennas, there is ample renewed interest in exploring the reasons for wave-induced sputtering and formation of hot spots. Moreover, there is experimental evidence on various machines that RF waves influence the density profile close to the wave launchers so that waves indirectly influence their own coupling efficiency. The present study presents a return to first principles and describes the wave-particle interaction using a 2-time scale model involving the equation of motion, the continuity equation and the wave equation on each of the time scales. Through the changing density pattern, the fast time scale dynamics is affected by the slow time scale events. In turn, the slow time scale density and flows are modified by the presence of the RF waves through quasilinear terms. Although finite zero order flows are identified, the usual cold plasma dielectric tensor - ignoring such flows - is adopted as a first approximation to describe the wave response to the RF driver. The resulting set of equations is composed of linear and nonlinear equations and is tackled in 1D in the present paper. Whereas the former can be solved using standard numerical techniques, the latter require special handling. At the price of multiple iterations, a simple ’derivative switch-on’ procedure allows to reformulate the nonlinear problem as a sequence of linear problems. Analytical expressions allow a first crude assessment - revealing that the ponderomotive potential plays a role similar to that of the electrostatic potential arising from charge separation - but numerical implementation is required to get a feeling of the full dynamics. A few tentative examples are provided to illustrate the phenomena involved.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Investigation of light ion fusion reactions with plasma discharges

The scaling of reaction yields in light ion fusion to low reaction energies is important for our understanding of stellar fuel chains and the development of future energy technologies. Experiments become progressively more challenging at lower reaction energies due to the exponential drop of fusion cross sections below the Coulomb barrier. We report on experiments where deuterium-deuterium (D-D) fusion reactions are studied in a pulsed plasma in the glow discharge regime using a benchtop apparatus. We model plasma conditions using particle-in-cell codes. Advantages of this approach are relatively high peak ion currents and current densities (0.1 to several A/cm 2 ) that can be applied to metal wire cathodes for several days. We detect neutrons from D-D reactions with scintillator-based detectors. For palladium targets, we find neutron yields as a function of cathode voltage that are over 100 times higher than yields expected for bare nuclei fusion at ion energies below 2 keV (center of mass frame). A possible explanation is a correction to the ion energy due to an electron screening potential of 1000 ± 250 eV, which increases the probability for tunneling through the repulsive Coulomb barrier. Finally, our compact, robust setup enables parametric studies of this effect at relatively low reaction energies.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Time-dependent scenario modeling for the ST-E1 fusion power plant

ST-E1 is a low aspect ratio fusion power plant being designed by Tokamak Energy targeting 1.5 GW of fusion power. Characterization of the ST-E1 flat-top scenario is described elsewhere McNamara et al (2026 Nucl. Fusion 66 086008); here we focus on addressing the question of how to ramp-up the ST-E1 plasma from an initial state following breakdown and flux-surface formation to the target flat-top state. Being low-aspect ratio, the available solenoid flux of ST-E1 is limited. Therefore, particular consideration is placed on developing ramp-up scenarios that predominantly use inductive flux provided by external vertical field coils. Through time-dependent modeling with METIS, we show that this is possible when the ramp-up is performed at relatively high plasma density: although auxiliary current drive efficiency is reduced, this is significantly outweighed by (1) higher electron-ion collisional equilibration, (2) higher fusion power once ions become sufficiently hot, (3) higher poloidal beta for increased vertical-field flux, and (4) potentially favorable exhaust compatibilities. Ultimately, we show the target ST-E1 flat-top performance can be reached after a ramp-up period lasting 150 s using less than 40 Vs of solenoid flux (with vertical field providing ∼ 90 Vs of flux). The sensitivity to model assumptions are presented, with the general observation that deleterious effects can be mitigated through minor alterations of the auxiliary power temporal waveform and/or total auxiliary power level. The impact of a solenoid and the auxiliary power mix (electron cyclotron heating only versus electron and ion cyclotron heating) on the ST-E1 ramp-up success are also discussed in appendices. On this latter topic, we show that the effect of direct-ion heating during ramp-up is obscured by the uncertainty in the pedestal dynamics, identifying a clear line of future work required to make a definite decision on the ST-E1 auxiliary power mix.

current ramp-up↗
DOE OSTI2020

Probing the Electronic Structure of Warm Dense Nickel via Resonant Inelastic X-Ray Scattering

The development of bright free-electron lasers (FEL) has revolutionized our ability to create and study matter in the high-energy-density (HED) regime. Current diagnostic techniques have been successful in yielding information on fundamental thermodynamic plasma properties, but provide only limited or indirect information on the detailed quantum structure of these systems, and on how it is affected by ionization dynamics. In this work we show how the valence electronic structure of solid-density nickel, heated to temperatures of around 10 of eV on femtosecond timescales, can be probed by single-shot resonant inelastic x-ray scattering (RIXS) at the Linac Coherent Light Source FEL. The RIXS spectrum provides a wealth of information on the HED system that goes well beyond what can be extracted from x-ray absorption or emission spectroscopy alone, and is particularly well suited to time-resolved studies of electronic-structure dynamics.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Detailed Analysis and Performance Limiting Mechanism of Si Delta-Doped GaAs Tunnel Diode Grown by MBE

High-performance GaAs tunnel diodes (TDs) are fabricated by using Si delta-doping technique. The GaAs TDs exhibited a high peak tunnel-current density of 2,735 A/cm 2 and low specific resistivity of 1.46 x 10 -4 Ω∙cm 2 . However, the performance of the GaAs TDs deteriorated once the amount of Si delta doping exceeded a certain limit, which has been rarely reported elsewhere. Detailed analyses and numerical simulations of GaAs TDs with various amounts of Si delta doping prove that Si amphoteric behavior governs the performance limit. GaAs TDs with precisely controlled Si delta doping are suitable for cutting-edge tandem solar cell applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗