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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Semiconducting to Metallic Electronic Landscapes in Defects-Controlled 2D π-d Conjugated Coordination Polymer Thin Films

Two-dimensional coordination polymers (2DCPs) have been predicted to exhibit exotic properties such as superconductivity, topological insulating behavior, catalytic activity, and superior ion transport for energy applications; experimentally, these materials have fallen short of their expectation due to the lack of synthesis protocols that yield continuous, large crystallite domains, and highly ordered thin films with controllable physical and chemical properties. Herein, the fabrication of large-area, highly ordered 2DCP thin films with large crystallite domains using chemical vapor deposition (CVD) approaches is described. It is demonstrated that defects and the packing motifs of 2DCP thin films may be controlled by adjusting the vapor–vapor and vapor–solid interactions of the metal and organic linker precursors during the CVD fabrication process. Such control allows for the fabrication of defects-controlled 2DCP thin films that show either semiconducting or metallic behavior. The findings provide the first demonstration of tuning the electrical properties of sub 100 nm-thick continuous 2DCP thin films by controlling their electronic landscape through defect engineering. As such, it is determined that large-area, highly ordered 2DCP thin films may undergo a semiconducting to metallic transition that is correlated to changes in morphology, crystalline domain sizes, crystallite orientation, defect interactions, and electronic structure.

2D coordination polymers↗
DOE OSTI2024

Morphological Modulation of TiO 2 Nanotube via Optimal Anodization Condition for Solar Water Oxidation

With the depletion of fossil fuels and the rising global demand for energy, photoelectrochemical (PEC) water splitting presents a promising solution to avert an energy crisis. Titanium dioxide (TiO 2 ), an n -type semiconductor, has gained popularity as a photoanode due to its remarkable PEC properties. Nevertheless, inherent challenges such as a wide band gap (~3.2 eV), charge recombination, and slow oxygen evolution reaction (OER) rates at the surface limit its practical application by constraining light absorption. To overcome these limitations, we have developed TiO 2 nanotubes (NTs) using a facile anodization method. This study examines the impact of anodization growth parameters on solar water oxidation performance. Specifically, TiO 2 NTs with modified anodization time (referred to as TiO 2 -6) showed a 3.5-fold increase in photocurrent density compared to the as-grown TiO 2 NTs. Furthermore, electrochemical analyses, such as electrochemical impedance spectroscopy (EIS), indicated a significant decrease in charge transfer resistance following the adjustment of on-off anodization time. Additionally, the TiO 2 -6 photoanode demonstrated a higher electrochemically active surface area (ECSA) than other samples. Therefore, optimal nanostructuring parameters are crucial for enhancing the PEC properties of TiO 2 NTs. Overall, our findings offer valuable insights for fabricating high-quality TiO 2 NTs photoanodes, contributing to developing efficient PEC systems for sustainable energy production.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Lines of Bound States in the Continuum in Monodisperse Microsphere Structures

Incorporating epitaxially grown active semiconductor media into self-assembled microsphere crystals has remained a major challenge as the curved geometry of the spheres is incompatible with conventional planar growth and patterning techniques. As a result, active photonic devices based on such self-assembled structures, which have other desirable properties such as enabling the rapid assembly of large area systems, have been elusive. Here, we numerically demonstrate an alternative route to creating high-Q resonances in microsphere-based nanophotonic assemblies compatible with standard optical gain materials. We show that close-packed layers of monodisperse microspheres can exhibit symmetry bandgaps, regardless of their layer stacking order. Thus, this microsphere environment can be used to create lines of bound states in the continuum (BICs) of an embedded slab made of active material. Using a realistic ZnS@SiO 2 (core-shell) architecture and sphere diameters compatible with scalable colloidal assembly, we predict sharp spectral features in angle-resolved transmission that trace these lines of BICs and persist in the presence of some fabrication disorder. Altogether, in enabling the integration of unpatterned epitaxial gain slabs with large-area colloidal microsphere assemblies, this approach opens a practical path toward active, dynamically reconfigurable photonic devices that leverage BIC physics for narrow-linewidth lasing and enhanced light–matter interactions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Anthradithiophene (ADT)-Based Polymerized Non-Fullerene Acceptors for All-Polymer Solar Cells

Realizing efficient all-polymer solar cell (APSC) acceptors typically involves increased building block synthetic complexity, hence potentially unscalable syntheses and/or prohibitive costs. Here we report the synthesis, characterization, and implementation in APSCs of three new polymer acceptors P1–P3 using a scalable donor fragment, bis(2-octyldodecyl)anthra[1,2-b : 5,6-b’]dithiophene-4,10-dicarboxylate (ADT) co-polymerized with the high-efficiency acceptor units, NDI, Y6, and IDIC. Further, all three copolymers have comparable photophysics to known polymers; however, APSCs fabricated by blending P1, P2 and P3 with donor polymers PM5 and PM6 exhibit modest power conversion efficiencies (PCEs), with the champion P2-based APSC achieving PCE=5.64 %. Detailed morphological and microstructural analysis by AFM and GIWAXS reveal a non-optimal APSC active layer morphology, which suppresses charge transport. Despite the modest efficiencies, these APSCs demonstrate the feasibility of using ADT as a scalable and inexpensive electron rich/donor building block for APSCs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Sputtered ferroelectric aluminum scandium boron nitride (Al 1−x−y B x Sc y N)/ n -GaN heterostructures

This work demonstrates ferroelectric switching in magnetron sputtered Al 1−x−y B x Sc y N/ n -GaN heterostructures. Using high power impulse magnetron sputtering, a silicon doped n -GaN bottom electrode with an electron concentration of 6.0 × 10 19 cm −3 is grown on c-plane sapphire. Al 1−x−y B x Sc y N films are prepared on the GaN surface with Al:B:Sc ratios that produce tensile, lattice matched, or compressive epitaxial strains. X-ray diffraction shows that lattice matched and compressively strained Al 1−x−y B x Sc y N compositions are pseudomorphic, while partial relaxation is observed for tensilely strained Al 1−x−y B x Sc y N/ n -GaN heterostructures. Electrically, the Al 1−x−y B x Sc y N/ n -GaN stacks show robust hysteresis; the P–E loops are fully saturated with both lattice matched and compressively strained Al 1−x−y B x Sc y N compositions exhibiting remanent polarization values of 135 μC/cm 2 . For comparison, Al 1−x−y B x Sc y N films are also prepared on metal organic chemical vapor deposition and single crystal GaN substrates to extend strain and morphology trends to more common substrate types. This report validates that sputter deposition is a feasible technique for fabricating strain-tunable ferroelectric III–N heterostructures with high crystalline fidelity and smooth surface morphologies.

42 ENGINEERING↗
DOE OSTI2022

Efficient and scalable GaInAs thermophotovoltaic devices

We report thermophotovoltaics are promising solid-state energy converters for a variety of applications such as grid-scale energy storage, concentrating solar-thermal power, and waste-heat recovery. Here, we report the design, fabrication, and testing of large area (0.8 cm 2 ), scalable, single-junction 0.75-eV GaInAs thermophotovoltaic devices reaching an efficiency of 38.8% +/- 2.0% and an electrical power density of 3.78 W/cm 2 at an emitter temperature of 1,850 °C. Reaching such a high emitter temperature and power density without sacrificing efficiency is a direct result of combining good spectral management with an optimized cell architecture, excellent material quality, and low series resistance. Importantly, fabrication of 12 high-performing devices on a 2-in wafer is shown to be repeatable, and the cell design can be readily transferred to commercial epitaxy on even larger wafers. Further improvements in efficiency can be obtained by using a multijunction architecture, illustrated by early results for a two-junction 0.84-eV GaInPAs/0.75-eV GaInAs device.

14 SOLAR ENERGY↗
DOE OSTI2023

Pulsed Laser Annealed Ga Hyperdoped Poly‐Si / SiO x Passivating Contacts for High‐Efficiency Monocrystalline Si Solar Cells

Polycrystalline Si ( poly ‐Si)‐based passivating contacts are promising candidates for high‐efficiency crystalline Si solar cells. We show that nanosecond‐scale pulsed laser melting (PLM) is an industrially viable technique to fabricate such contacts with precisely controlled dopant concentration profiles that exceed the solid solubility limit. We demonstrate that conventionally doped, hole‐selective poly ‐Si/SiO x contacts that provide poor surface passivation of c ‐Si can be replaced with Ga‐ or B‐doped contacts based on non‐equilibrium doping. We overcome the solid solubility limit for both dopants in poly ‐Si by rapid cooling and recrystallization over a timescale of ∼25 ns. We show an active Ga dopant concentration of ∼3 × 10 20 cm −3 in poly ‐Si which is six times higher than its solubility limit in c ‐Si, and a B dopant concentration as high as ∼10 21 cm −3 . We measure an implied open‐circuit voltage of 735 mV for Ga‐doped poly ‐Si/SiO x contacts on Czochralski Si with a low contact resistivity of 35.5 ± 2.4 mΩ cm 2 . Scanning spreading resistance microscopy and Kelvin probe force microscopy show large diffusion and drift current in the p ‐ n junction that contributes to the low contact resistivity. Our results suggest that PLM can be extended for hyperdoping of other semiconductors with low solubility atoms to enable high‐efficiency devices.

14 SOLAR ENERGY↗
DOE OSTI2021

Characterization of a Small-Scale Prototype Detector With Wide Dynamic Range for Time-Resolved High-Energy X-Ray Applications

We present characterization measurements of a fast-framing, wide-dynamic-range x-ray area detector intended for high-energy applications (≥20 keV photons). The MM-PAD-2.1 combines an integrating pixel front-end with a charge-removal mechanism to extend the maximum measurable signal to > 107 20-keV ph/pixel/frame. The charge-removal mechanism is dead-time-less (i.e., incoming signal continues to be integrated by the front-end while charge removal is taking place) up to an incoming photon rate of > 109 20-keV ph/pix/s. A 16×16 pixel prototype was fabricated and characterized using both laboratory and synchrotron x-ray sources, allowing for measurements from single-photon to high-flux conditions. High-flux measurements show linear performance up to ~1010 ph/s in a spot spanning approximately 2×1.5 pixels (FWHM). The onset of temporary radiation damage in the detector was observed during these measurements, manifesting as failure of the digital readout from the detector. These effects were seen to reverse after annealing at 30° C for several hours.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Au-free low-temperature ohmic contacts for AlGaN/AlN/GaN heterostructures

We report Au-free, Ti/Al/Ta ohmic contact on the AlGaN/AlN/GaN heterostructure using low annealing temperature is studied in this paper. With SiCl 4 plasma treatment at the recess-etched contact region, a low contact resistance of 0.52 Ω mm and a low sheet resistance of 373 Ω/sq are achieved after annealing at 550 °C for 30 s. The low annealing temperature also leads to better surface morphology. Furthermore, AlGaN/AlN/GaN high-electron-mobility transistors (HEMTs) are fabricated with the 550 °C, 30 s annealed Ti/Al/Ta ohmic contacts, and a maximum transconductance of 123 mS/mm and a maximum drain current of 510 mA/mm are obtained for a gate length of 4 μm. Based on Silvaco's Atlas device simulation framework, a scaled-down device with a short gate length of 1 μm would produce a maximum drain current density of 815 mA/mm. It indicates that the direct current performance of the HEMTs with the ohmic metal proposed in this work is considerably better than that with Au-based ohmic contact.

42 ENGINEERING↗
DOE OSTI2024

Colloidal AInSe 2 (A = K, Rb, Cs) Nanocrystals with Tunable Crystal and Band Structures

Wide band gap AInSe 2 (A = K, Rb, Cs) is an important interlayer material for improving the efficiency of Cu(In,Ga)(S,Se) 2 (CIGS) solar cells. Compared to high-vacuum deposition and solid-state synthesis, a less energyintensive method is of interest for its fabrication. Herein, we present the rapid, low-temperature colloidal synthesis of AInSe 2 nanocrystals that opens a pathway for convenient solution processing. The crystal structures and electronic band structures of the nanocrystals were studied, and their particle morphology was found to be dependent on the choice of alkali metal and selenium precursors. Homogeneous solid solution (K,Rb,Cs)InSe 2 nanocrystals were synthesized using a mixture of alkali metal precursors. Their compositions, lattice parameters, and band gaps were easily tuned based on the K:Rb:Cs precursor ratio, providing potential for interface engineering of CIGS nanocrystal-based solar cells.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Software Development for Data Visualization and Analysis of PN-Diodes & MOSFET Devices

The U.S. Department of Energy has a broad mission to ensure the nation’s security by addressing ongoing environmental challenges, developing novel energy production technologies, and mitigating nuclear security concerns. These efforts benefit from developing more effective semiconductor materials and devices. The research discussed in this report aims to further the development of these new electronics by improving implementations of vertical device structures, which offer theoretically better performance compared to lateral structures. Specifically, it reviews the background and development of a new and easy-to-use program for data processing and analysis from experiments run on vertical gallium nitride power devices. Current vertical structures fall short in critical performance metrics, such as On-Resistance and Breakdown Voltage, due to poor management of the device’s electric field. Junction termination extensions, or JTEs, are a field management technique that increases a device’s resilience to expected failure modes by controlling its surface electric fields. Each JTE design requires significant experimental validation, consisting of hundreds of tested devices, each outputting an enormous set of data points. The new software includes multiple methods of filtering large sets of device testing data to identify and remove flawed devices, automate device analyses, and provide statistical breakdowns for four metrics used to define the effectiveness of the JTE and the current carrying capacity of the device. These results can then be related back to fabrication techniques and device design, and in the future, be combined with processing simulations to further improve our understanding of the JTE mechanisms.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Fabrication of flexible perovskite solar cells via rapid thermal annealing

Adaptability, lightweight, and low cost of materials make flexible perovskite solar cells essential for the perovskite technology to breach commercial photovoltaic markets. Roll-to-roll manufacturing has great potential for high-throughput perovskite manufacturing; however, conventional annealing methods are not capable of producing flexible perovskite solar cells at scale. Conventional methods are time consuming and may compromise functionality of flexible substrates under tension. Here, we introduce a bladecoated perovskite thin film on flexible ITO-coated PET annealed via rapid thermal annealing (RTA) that reduces post-deposition processing time from ~150 s to ~14 s. As a result, performance was not sacrificed for scalability as a perovskite solar cell was produced with a power conversion efficiency (PCE) of 14.58%.

14 SOLAR ENERGY↗
DOE OSTI2025

Revealing a Pathway for Low-Temperature Recrystallization in Germanium

Thermally activated annealing in semiconductors faces inherent limitations, such as dopant diffusion. Here, a nonthermal pathway is demonstrated for a complete structural restoration in predamaged germanium via ionization-induced recovery. By combining experiments and modeling, this study reveals that the energy transfer of only 2.4 keV nm −1 from incident ions to target electrons can effectively annihilate pre-existing defects and restore the original crystalline structure at room temperature. Moreover, it is revealed that the irradiation-induced crystalline-to-amorphous (c/a) transformation in Ge is reversible, a phenomenon previously considered unattainable without additional thermal energy imposed during irradiation. For partially damaged Ge, the overall damage fraction decreases exponentially with increasing fluence. Surprisingly, the recovery process in preamorphized Ge starts with defect recovery outside the amorphous layer and a shrinkage of the amorphous thickness. After this initial stage, the remaining damage decreases slowly with increasing fluence, but full restoration of the pristine state is not achieved. These differences in recovery are interpreted in the framework of structural differences in the initial defective layers that affect recovery kinetics. This study provides new insights on reversing the c/a transformation in Ge using highly-ionizing irradiation and has broad implications across materials science, radiation damage mitigation, and fabrication of Ge-based devices.

athermal recovery↗
DOE OSTI2021

Lithium indium diselenide — An advanced material for neutron detection

Here, this paper describes the synthesis, crystal growth, detector fabrication, radiation hardening studies, MCNP modeling, and characterization of lithium indium diselenide or LiInSe 2 . This newly-developed room temperature thermal neutron detector has semiconducting and scintillating properties and it is suitable for neutron detection application. LiInSe 2 was synthesized starting from elemental Li, In, Se in two steps due to high reactivity of Li. A single crystal of LiInSe 2 was grown using the Vertical Bridgman method. The room temperature band gap was found to be 2.8 eV using optical absorption measurements. Bulk resistivity was measured at ∼5 × 10 11 Ωcm. Photoconductivity measurements of LiInSe 2 wafers identified a peak in the photocurrent around 445 nm. Nuclear radiation detectors were fabricated from single crystal wafer and the responses to alpha particles at various biases were measured. The mobility-lifetime product was estimated. Gamma irradiation studies were performed with calculated absorbed doses ranging from 0.2126 to 21,262 Gy. The characterization of the two wafers for their scintillator performance was conducted after each irradiation. The gamma irradiation produced a reduction of the light yield that translated to a lower channel number for the centroid of alpha detection spectra. It also showed a considerable reduction of the decay time after the first irradiation. These are the first studies on gamma radiation hardening with this material.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2026

15.3% AM1.5G Efficiency GaAs Solar Cells Fabricated via an Epitaxy-Free Process

Here, we report simple and potentially low-cost techniques for creating high-quality n-type gallium arsenide (GaAs) and GaAs p/n junctions and fabricate GaAs p/n junction solar cells. Detailed-balance modeling suggests that 20% AM1.5G efficiency p/n homojunction devices may be possible if the surface doping concentration can be limited to values less than ∼ 5 × 10 19 cm −3 . Our process exploits an open-tube, vapor-phase, deposition-free, zinc diffusion technique for forming p-type layers in melt-grown n-GaAs substrates that results in sheet resistances less than 1 kΩ/$\square$. In addition, we have improved the minority carrier diffusion lengths of melt-grown GaAs from less than one micron to over five microns using an open-tube, vacuum-free, annealing process which reduces the density of EL2 midgap defects. Finally, we have combined these advances to fabricate epitaxy-free, GaAs solar cells with a validated AM1.5G efficiency of 15.3%.

14 SOLAR ENERGY↗
DOE OSTI2023

Oxide Semiconductor Sensors for Monitoring Advanced Energy Conversion and Manufacturing Processes at High Temperature

To optimize the operation and functionality of high temperature systems such as slagging gasifiers, coal boilers and glass/steel smelters, it is important to monitor temperature, corrosion and erosion of the refractory used in such systems. Both thermocouple and failure sensors (and arrays of these) would be useful to monitor the health of any refractory or coatings in these systems. Many of such type of sensors are installed into the systems through open access ports within the refractory; however, there are some disadvantages of this approach where corrosive/erosive gas and molten materials can penetrate and compromise the system. The current work presents the development and performance of refractory with embedded high temperature sensors such as thermocouples, thermistors, and various spallation/crack monitoring sensors, which may be used within a variety of refractory brick in different high temperature processes and applications. The objective of our work is to develop high-temperature sensors composed of electroceramic materials that are chemically stable at high temperatures (750°-1500°C) and high pressures (up to 1000 psi) that can be used in monitoring temperature, corrosion and erosion process in refractory used in high energy systems. The high-temperature sensors investigated in this work were composed of various oxide composites directly embedded into the refractory oxides. The composites used for this work were synthesized by a mixed-oxide route. Metal oxides were inserted within a matrix material composed of refractory oxides (Al2O3, ZrO2, etc.). The physical and electrical properties were specifically manipulated by altering the level of percolation of the conductive species (metal oxides) within the refractory constituent (refractory oxide). An example of one of these embedded sensors consisted of an electroceramic-based thermocouple fabricated with two separate oxide composite compositions which were patterned to produce a couple within the interior of a refractory matrix. The thermocouple successfully displayed thermoelectric voltage trend (as a function of temperature), and the voltage was 220.0 mV near 1400 °C. In addition, corrosion tests on the refractory embedded sensors were performed. To evaluate corrosion in the refractory was exposed to high-temperature glass compositions over a 90 h period. The penetration of the glass through the refractory could be monitored by both an amperometric and voltametric based sensor. With this experiment, it was demonstrated that the embedded sensor could dynamically monitor the corrosion process, and thus, provide real-time feedback on both temperature and the refractory health.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2021

Microcavity-like exciton-polaritons can be the primary photoexcitation in bare organic semiconductors

Strong-coupling between excitons and confined photonic modes can lead to the formation of new quasi-particles termed exciton-polaritons which can display a range of interesting properties such as super-fluidity, ultrafast transport and Bose-Einstein condensation. Strong-coupling typically occurs when an excitonic material is confided in a dielectric or plasmonic microcavity. Here, we show polaritons can form at room temperature in a range of chemically diverse, organic semiconductor thin films, despite the absence of an external cavity. We find evidence of strong light-matter coupling via angle-dependent peak splittings in the reflectivity spectra of the materials and emission from collective polariton states. We additionally show exciton-polaritons are the primary photoexcitation in these organic materials by directly imaging their ultrafast (5 × 10 6 m s –1 ), ultralong (~270 nm) transport. These results open-up new fundamental physics and could enable a new generation of organic optoelectronic and light harvesting devices based on cavity-free exciton-polaritons.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Distinguishing bulk and surface recombination in CdTe thin films and solar cells using time-resolved terahertz and photoluminescence spectroscopies

Understanding the nature of recombination and its dependence on defects and interfaces is essential for engineering materials and contacts for higher open circuit voltage (V oc ) and power conversion efficiency in photovoltaic (PV) devices. Time-resolved photoluminescence (TRPL) has conventionally been used to evaluate recombination, but carrier redistribution often dominates the response at short times. In this work, we report on the quantification of carrier dynamics and recombination mechanisms by complementary use of both time-resolved terahertz spectroscopy (TRTS) and TRPL combined with numerical modeling of the continuity equations and Poisson’s equation. We have demonstrated this approach using CdTe thin films. A thin film stack with CdTe fabricated by vapor transport deposition and treated with CdCl 2 exhibited a bulk lifetime of 1.7 ± 0.1 ns, negligible CdTe/CdS interface recombination velocity, and back surface recombination velocity of 6.3 ± 1.3 x10 4 cm/s. In contrast, a film stack without CdCl 2 treatment had a bulk lifetime of only 68 ± 12 ps and a higher interface recombination velocity of 4 ± 2 x10 8 cm/s. By determining the locus and mechanisms of performance-limiting recombination, we can accelerate the development of thin-film PVs with higher V oc and efficiency. While the method has been demonstrated here using CdTe, it is also applicable to perovskites, Cu(InGa)Se 2 , Cu2ZnSn(S,Se) 4, and emerging technologies.

14 SOLAR ENERGY↗