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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

New approach to the design of Schottky barrier diodes for THz mixers

Near-ideal GaAs Schottky barrier diodes especially designed for mixing applications in the THz frequency range are presented. A diode fabrication process for submicron diodes with near-ideal electrical and noise characteristics is described. This process is based on the electrolytic pulse etching of GaAs in combination with an in-situ platinum plating for the formation of the Schottky contacts. Schottky barrier diodes with a diameter of 1 micron fabricated by the process have already shown excellent results in a 650 GHz waveguide mixer at room temperature. A conversion loss of 7.5 dB and a mixer noise temperature of less than 2000 K have been obtained at an intermediate frequency of 4 GHz. The optimization of the diode structure and the technology was possible due to the development of a generalized Schottky barrier diode model which is valid also at high current densities. The common diode design and optimization is discussed on the basis of the classical theory. However, the conventional fomulas are valid only in a limited forward bias range corresponding to currents much smaller than the operating currents under submillimeter mixing conditions. The generalized new model takes into account not only the phenomena occurring at the junction such as current dependent recombination and drift/diffusion velocities, but also mobility and electron temperature variations in the undepleted epi-layer. Calculated diode I/V and noise characteristics are in excellent agreement with the measured values. Thus, the model offers the possibility of optimizing the diode structure and predicting the diode performance under mixing conditions at THz frequencies.

Jelenski, A.↗
NASA NTRS2009

Carbon Nanotube Based Chemical Sensors for Space and Terrestrial Applications

A nanosensor technology has been developed using nanostructures, such as single walled carbon nanotubes (SWNTs), on a pair of interdigitated electrodes (IDE) processed with a silicon-based microfabrication and micromachining technique. The IDE fingers were fabricated using photolithography and thin film metallization techniques. Both in-situ growth of nanostructure materials and casting of the nanostructure dispersions were used to make chemical sensing devices. These sensors have been exposed to nitrogen dioxide, acetone, benzene, nitrotoluene, chlorine, and ammonia in the concentration range of ppm to ppb at room temperature. The electronic molecular sensing of carbon nanotubes in our sensor platform can be understood by intra- and inter-tube electron modulation in terms of charge transfer mechanisms. As a result of the charge transfer, the conductance of p-type or hole-richer SWNTs in air will change. Due to the large surface area, low surface energy barrier and high thermal and mechanical stability, nanostructured chemical sensors potentially can offer higher sensitivity, lower power consumption and better robustness than the state-of-the-art systems, which make them more attractive for defense and space applications. Combined with MEMS technology, light weight and compact size sensors can be made in wafer scale with low cost. Additionally, a wireless capability of such a sensor chip can be used for networked mobile and fixed-site detection and warning systems for military bases, facilities and battlefield areas.

Li, Jing↗
DOE OSTI2022

Mineralogical, magnetic and geochemical data constrain the pathways and extent of weathering of mineralized sedimentary rocks

The oxidative weathering of sulfidic rock can profoundly impact watersheds through the resulting export of acidity and metals. Weathering leaves a record of mineral transformation, particularly involving minor redox-sensitive phases, that can inform the development of conceptual and quantitative models. In sulfidic sedimentary rocks, however, variations in depositional history, diagenesis and mineralization can change or overprint the distributions of these trace minerals, complicating the interpretation of weathering signatures. Here we show that a combination of bulk mineralogical and geochemical techniques, micrometer-resolution X-ray fluorescence microprobe analysis and rock magnetic measurements, applied to drill core samples and single weathered fractures, can provide data that enable the development of a geochemically consistent weathering model. This work focused on one watershed in the Upper Colorado River Basin sitting within the Mesaverde Formation, a sedimentary sandstone bedrock with disseminated sulfide minerals, including pyrite and sphalerite, that were introduced during diagenesis and subsequent magmatic-hydrothermal mineralization. Combined analytical methods revealed the pathways of iron (Fe), carbonate and silicate mineral weathering and showed how pH controls element retention or release from the actively weathering fractured sandstone. Drill core logging, whole rock X-ray diffraction, and geochemical measurements document the progression from unweathered rock at depth to weathered rock at the surface. X-ray microprobe analyses of a 1-cm size weathering profile along a fracture surface are consistent with the mobilization of Fe(II) and Fe(III) into acidic pore water from the dissolution of primary pyrite, Fe-sphalerite, chlorite, and minor siderite and pyrrhotite. These reactions are followed by the precipitation of secondary minerals such as of goethite and jarosite, a Fe-(oxyhydr)oxide and hydrous Fe(III) sulfate, respectively. Microscale analyses also helped explain the weathering reactions responsible for the mineralogical transformations observed in the top and most weathered section of the drill core. For example, dissolution of feldspar and chlorite neutralizes the acidity generated by Fe and sulfide mineral oxidation, oversaturating the solution in both Fe-oxides. The combination of X-ray spectromicroscopy and magnetic measurements show that the Fe(III) product is goethite, mainly present either as a coating on fracture surfaces in the actively weathering region of the core or more homogeneously contained within the unconsolidated regolith at the top of the core. Low-temperature magnetic data reveal the presence of ferromagnetic Fe-sulfide pyrrhotite that, although it occurs at trace concentrations, could provide a qualitative proxy for unweathered sulfide minerals because the loss of pyrrhotite is associated with the onset of oxidative weathering. Pyrrhotite loss and goethite formation are detectable through room-temperature magnetic coercivity changes, suggesting that rock magnetic measurements can determine weathering intensity in rock samples at many scales. In conclusion, this work contributes evidence that the weathering of sulfidic sedimentary rocks follows a geochemical pattern in which the abundance of sulfide minerals controls the generation of acidity and dissolved elements, and the pH-dependent mobility of these elements controls their export to the ground- and surface-water.

58 GEOSCIENCES↗
DOE OSTI2024

Shallow core levels, or how to determine the doping and T c of Bi 2 Sr 2 CaCu 2 O 8 + δ and Bi 2 Sr 2 CuO 6 + δ without cooling

In this study, determining the doping level in high-temperature cuprate superconductors is crucial for understanding the origin of superconductivity in these materials and for unlocking their full potential. However, accurately determining the doping level remains a significant challenge due to a complex interplay of factors and limitations in various measurement techniques. In particular, in Bi 2 Sr 2 CuO 6+δ and Bi 2 Sr 2 CaCu 2 O 8+δ , where the mobile carriers are introduced by non-stoichiometric oxygen δ, the determination has been extremely problematic. Here, we study the doping dependence of the electronic structure of these materials in angle-resolved photoemission and find that both the doping level, p, and the superconducting transition temeprature, T c can be precisely determined from the binding energy of the Bi 5d core-levels. The measurements can be performed at room temperature, enabling the determination of p and T c without cooling the samples. This should be very helpful for further studies of these materials

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Development of the Intelligent, Preventive Infrared (IR) Inspection System Housed in Hybrid Robotic Platforms

Robots and robotic systems that are designed for inspection, environmental study, and health and safety aid are becoming an increasing necessity. However, there is a number of challenges that accompany robots that are designed for these specific applications. These challenges include: navigating compact, enclosed spaces, travelling over multiple terrains and large obstacles, using the proper sensing and detection methods to assess an environment, and the use of lightweight and durable materials. The robotic platforms currently in development look at all of these challenges and attempt to overcome them. These designs specific use of hybrid robotic platforms, or platform that utilizes soft and rigid materials, allows for a more flexible platform and makes environments more navigable. To further improve the navigation of the platforms and environmental assessment, a novel infrared detection system is housed in the platforms to create a robot that can be used for the applications listed above and more. Objectives: Further develop two types of robotic platforms that utilize additive manufacturing, soft materials, and rigid materials. Continue the development of an intelligent and inhibitory infrared detection system based on an artificial intelligence (AI) algorithm. Continued study and fabrication of active soft materials designed for both sensing and actuation in hybrid robotic systems. Improve additive manufacturing fabrication to design rigid and semi-rigid components for hybrid robotic platforms. Transformable Wheel Robotic Platform: The chassis, wheels, tires and inspection system housing use different additive manufacturing techniques for fabrication. Continued work with additive manufacturing has lead to studies in metal-based printing and modular design and manufacturing. The new platform design with integrated electrical component printed. This will allow integration of the sensor housing onto the platform. Electrical components are being tested for battery life and performance. To improve this performance, such as integration of Lithium Polymer (LiPo) batteries. Snake Robotic Platform: The main focus of the development has centered around liquid-based soft actuators. That act on the principles of electrostatic and hydraulic actuation. A liquid dielectric sits between two compliant electrodes, contained by a flexible polymer shell. The electrodes and film gradually collapse toward each other from one corner of the electrode to the other. When the electrodes and film close together, a majority of the fluid is pushed into the area not covered by an electrode. A thin layer of the liquid dielectric remains between the electrode. The actuators will be stacked to cause large displacement, and move the linkages. The chassis of this platform uses purely additively manufactured linkages. Intelligent, Preventive IR Inspection System: Development of the AI for the system has lead to using a Scikit-Learn which assists in creating predictive models based on Regression, clustering, classification etc. To improve the infrared thermometry for low emissivity sources, work on the fabrication of a tandem photoconductive infrared thermometer was a main focus. Distance-Voltage-Temperature response data has been collected in the range of 7 cm - 100 cm and 200-400 deg. C. Modifications were made to the existing test bench to have a better control over the data. Automated data collection was realized using a Python code and an Arduino controlled stepper motor to increase the sample rate. A protective enclosure has been built around the setup to minimize the effect of the environment on the measurements. To better predict temperature, different AI models are being optimized. The regression model, LARS showed a high accuracy but had convergence issues and only works for the current test set-up. Results: The Transformable Wheel Robot has developed into a more flexible and modular platform. With the improvements to the current work, effort on the tire or soft gripper design been a large focus. The soft grippers will be interchange able to allow for increased performance in identified terrain types. The development of the liquid-based actuators allows the snake robotic platform to achieve the goals of being flexible and able to navigate confined spaces. However, there is room for improvement. Optimization work is currently being done in COMSOL Multiphysics. With the current IR system set-up the LARS model perfectly predicts the data; however, considering the mobility aspect of the project other models will allow for an optimized system. Testing of other model types is currently being done.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Intrinsic Berry curvature driven anomalous Nernst thermopower in the semimetallic Heusler alloy CoFeVSb

Understanding of spin-heat coupling mechanisms and magnetothermoelectric phenomena, including the anomalous Nernst effect (ANE), in emergent quaternary Heusler alloys is of practical importance for applications in thermal management and energy harvesting. Here, we demonstrate an intrinsic Berry curvature mediated anomalous Nernst thermopower in CoFeVSb, which orders magnetically at high temperature ( T C ≈ 850 K ) with a large saturation magnetization of ≈ 2.2 μ B / f . u . at room temperature. We show that the electron-electron elastic and electron-magnon inelastic scattering dominate longitudinal electrical transport at low temperatures ( T ≤ 50 K ), whereas the electron-phonon and electron-magnon scatterings govern it at higher T . The longitudinal thermopower is resulted mainly from the diffusive contribution with a very large longitudinal Seebeck coefficient ( 42 μ V K - 1 at 395 K). The value of the anomalous Nernst coefficient ( S ANE ) for CoFeVSb at room temperature is 0.039 μ V K - 1 which is higher than the compressively strained SrRu O 3 film ( 0.03 μ V K - 1 ) as well as the spin gapless semiconductor CoFeCrGa ( 0.018 μ V K - 1 ). On lowering T , both the ordinary Nernst coefficient and carrier mobility increase but an opposite trend is found for S ANE . Our ab initio simulations reveal the topological semimetallic nature of CoFeVSb with a pair of Weyl points. These Weyl crossings result in a significant contribution to the Berry curvature, leading to an intrinsic anomalous Hall conductivity ( σ x y AHE ) of ≈ 85 S/cm, which matches well with experiment (77 S/cm at 2 K). Our experimental findings and ab initio calculations support the dominance of the intrinsic Berry curvature in the observed ANE. The ratio of σ x y AHE to the transverse anomalous thermoelectric conductivity ( α x y ANE ) shows an increasing trend with T attaining a sizable fraction of k B e ( ≈ 0.35 k B e ) at room temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Half-Heusler alloys as emerging high power density thermoelectric cooling materials

Abstract To achieve optimal thermoelectric performance, it is crucial to manipulate the scattering processes within materials to decouple the transport of phonons and electrons. In half-Heusler (hH) compounds, selective defect reduction can significantly improve performance due to the weak electron-acoustic phonon interaction. This study utilized Sb-pressure controlled annealing process to modulate the microstructure and point defects of Nb 0.55 Ta 0.40 Ti 0.05 FeSb compound, resulting in a 100% increase in carrier mobility and a maximum power factor of 78 µW cm −1 K −2 , approaching the theoretical prediction for NbFeSb single crystal. This approach yielded the highest average zT of ~0.86 among hH in the temperature range of 300-873 K. The use of this material led to a 210% enhancement in cooling power density compared to Bi 2 Te 3 -based devices and a conversion efficiency of 12%. These results demonstrate a promising strategy for optimizing hH materials for near-room-temperature thermoelectric applications.

36 MATERIALS SCIENCE↗
NASA NTRS2007

Thermal Conductivity of Copoly(ethylene vinyl acetate)/Nano-Filler Blends

The development of flexible, thermally conductive fabrics and plastic tubes for the Liquid Cooling and Ventilation Garment (LCVG) are needed to reduce weight and improve the mobility, comfort, and performance of future spacesuits. Such improvements would allow astronauts to operate more efficiently and safely for extended extravehicular activities. As a continuation of our work on the improvement of thermal conductivity (TC) of polymeric materials, nanocomposites were prepared from copoly(ethylene vinyl acetate), trade name Elvax 260TradeMark), metallized carbon nanofibers (CNFs), nickel (Ni) nanostrands, boron nitride both alone and as mixtures with aluminum powder. The nanocomposites were prepared by melt mixing at various loading levels and subsequently fabricated into several material forms (i.e., ribbons, tubes, and compression molded plaques) for analysis. Ribbons and tubes were extruded to form samples in which the nanoparticles were aligned in the direction of flow. The degree of dispersion and alignment of the nanoparticles were investigated using high-resolution scanning electron microscopy. Tensile properties of the aligned samples were determined at room temperature. TC measurements were performed using a laser flash (Nanoflash(TradeMark) technique. The TC of the samples was measured in both the direction of alignment as well as transverse. Tubing of comparable dimensions to that used in the LCVG was extruded from select compositions and the thermal conductivities of the tubes measured.

Ghose, S.↗
NASA NTRS2007

Thermal Conductivity of Polymer Copoly(Ethylene Vinyl Acetate)/Nano-Filler Blends

The development of flexible, thermally conductive fabrics and plastic tubes for the Liquid Cooling and Ventilation Garment (LCVG) are needed to reduce weight and improve the mobility, comfort, and performance of future spacesuits. Such improvements would allow astronauts to operate more efficiently and safely for extended extravehicular activities. As a continuation of our work on the improvement of thermal conductivity (TC) of polymeric materials, nanocomposites were prepared from copoly(ethylene vinyl acetate), trade name Elvax 260 , metallized carbon nanofibers (CNFs), nickel (Ni) nanostrands, boron nitride both alone and as mixtures with aluminum powder. The nanocomposites were prepared by melt mixing at various loading levels and subsequently fabricated into several material forms (i.e., ribbons, tubes, and compression molded plaques) for analysis. Ribbons and tubes were extruded to form samples in which the nanoparticles were aligned in the direction of flow. The degree of dispersion and alignment of the nanoparticles were investigated using high-resolution scanning electron microscopy. Tensile properties of the aligned samples were determined at room temperature. TC measurements were performed using a laser flash (Nanoflash ) technique. The TC of the samples was measured in both the direction of alignment as well as transverse. Tubing of comparable dimensions to that used in the LCVG was extruded from select compositions and the thermal conductivities of the tubes measured.

Ghose, S.↗
DOE OSTI2024

Coupled Gel/Seeded Growth of Cs2AgBiBr6 Single Crystals for Radiation Detection

Abstract— The all-inorganic lead free Cs2AgBiBr6 perovskite represents a highly promising environment-friendly radiation detector material. The first attempt to grow Cs2AgBiBr6 single crystals using the unique gel growth method is reported in this study. This technique enables controlled reagent diffusion in a gel medium at room temperature, fostering the growth of visible single crystals. It offers advantages over conventional methods, leading to fewer equilibrium and non-equilibrium defects and simplified execution. Interestingly, the as-grown crystals exhibited variations in size and colors within the gel matrix, indicating the influence of Bi solutes in Bi-poor and Bi-rich Cs2AgBiBr6 crystals. Once the crystals were confirmed by powder xray diffraction, a series of comprehensive material characterizations was performed. The resistivity of Cs2AgBiBr6 single crystals was measured at 1.12x107 Ω•cm. Trap density analysis yielded a value of 2.82 x1010 cm-3. The charge carrier mobility was determined to be 32.9 cm2V-1S-1, suggesting the suitability for radiation detector applications. Additional growth optimization is going on and further characterization will be reported during the presentation. Our work helps accelerate the development of lead-free perovskite materials toward radiation detector applications.

James, Ralph B.↗
NASA NTRS2006

Carbon-Nanotube Schottky Diodes

Schottky diodes based on semiconducting single-walled carbon nanotubes are being developed as essential components of the next generation of submillimeter-wave sensors and sources. Initial performance predictions have shown that the performance characteristics of these devices can exceed those of the state-of-the-art solid-state Schottky diodes that have been the components of choice for room-temperature submillimeter-wave sensors for more than 50 years. For state-of-the-art Schottky diodes used as detectors at frequencies above a few hundred gigahertz, the inherent parasitic capacitances associated with their semiconductor junction areas and the resistances associated with low electron mobilities limit achievable sensitivity. The performance of such a detector falls off approximately exponentially with frequency above 500 GHz. Moreover, when used as frequency multipliers for generating signals, state-of-the-art solid-state Schottky diodes exhibit extremely low efficiencies, generally putting out only micro-watts of power at frequencies up to 1.5 THz. The shortcomings of the state-of-the-art solid-state Schottky diodes can be overcome by exploiting the unique electronic properties of semiconducting carbon nanotubes. A single-walled carbon nanotube can be metallic or semiconducting, depending on its chirality, and exhibits high electron mobility (recently reported to be approx.= 2x10(exp 5)sq cm/V-s) and low parasitic capacitance. Because of the narrowness of nanotubes, Schottky diodes based on carbon nanotubes have ultra-small junction areas (of the order of a few square nanometers) and consequent junction capacitances of the order of 10(exp -18) F, which translates to cutoff frequency >5 THz. Because the turn-on power levels of these devices are very low (of the order of nano-watts), the input power levels needed for pumping local oscillators containing these devices should be lower than those needed for local oscillators containing state-of-the-art solid-state Schottky diodes.

Manohara, Harish↗
DOE OSTI2022

Correlating electronic properties with M-site composition in solid solution Ti y Nb 2- y CT x MXenes

High electrical conductivity is desired in MXene films for applications such as electromagnetic interference shielding, antennas, and electrodes for electrochemical energy storage and conversion applications. Due to the acid etching-based synthesis method, it is challenging to deconvolute the relative importance that factors such as chemical composition and flake size contribute to resistivity. To understand the intrinsic and extrinsic contributions to the macroscopic electronic transport properties, a systematic study controlling compositional and structural parameters was conducted with eight solid solutions in the Ti y Nb 2-y CT x system. Here, in particular, we investigated the different roles played by metal (M)-site composition, flake size, and d-spacing on macroscopic transport. Hard x-ray photoemission spectroscopy and spectroscopic ellipsometry revealed changes to electronic structure induced by the M-site alloying. Consistent with the spectroscopic results, the low- and room-temperature conductivities and effective carrier mobility are correlated with the Ti content, while the impact of flake size and d-spacing is most prominent in low-temperature transport. The results provide guidance for designing and engineering MXenes with a wide range of conductivities.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Controlled Growth of Single‐Crystal Graphene Wafers on Twin‐Boundary‐Free Cu(111) Substrates

Single-crystal graphene (SCG) wafers are needed to enable mass-electronics and optoelectronics owing to their excellent properties and compatibility with silicon-based technology. Controlled synthesis of high-quality SCG wafers can be done exploiting single-crystal Cu(111) substrates as epitaxial growth substrates recently. However, current Cu(111) films prepared by magnetron sputtering on single-crystal sapphire wafers still suffer from in-plane twin boundaries, which degrade the SCG chemical vapor deposition. Here, in this study, it is shown how to eliminate twin boundaries on Cu and achieve 4 in. Cu(111) wafers with ≈95% crystallinity. The introduction of a temperature gradient on Cu films with designed texture during annealing drives abnormal grain growth across the whole Cu wafer. In-plane twin boundaries are eliminated via migration of out-of-plane grain boundaries. SCG wafers grown on the resulting single-crystal Cu(111) substrates exhibit improved crystallinity with >97% aligned graphene domains. As-synthesized SCG wafers exhibit an average carrier mobility up to 7284 cm 2 V −1 s −1 at room temperature from 103 devices and a uniform sheet resistance with only 5% deviation in 4 in. region.

36 MATERIALS SCIENCE↗
NASA NTRS1994

CoSb(sub 3)-IrSb(sub 3)Solid Solutions: Preparations and Characterization

The binary antimonide compounds of the skutterudite family have a good potential for thermoelectric applications as recent results at JPL have shown. However, the room temperature thermal conductivity of these materials is about 10 Wm(sup -1)K(sup -1) with an 80 % contribution from the lattice. To achieve maximum ZT values, the lattice thermal conductivity needs to be lowered. Because the lattice thermal conductivity of solid solutions can substantially decrease due to the addition of point defect phonon scattering (all state-of-the-art thermoelectric materials are solid solutions), a study of the formation of solid solutions between the antimonide skutterudite compounds is of interest. The preparation and characterization of both p-type and n-type CoSb(sub 3)-IrSb(sub 3) solid solutions by several techniques is reviewed in this paper. Experimental results showed that solid solutions were successfully formed in a wide range of compositions. The changes in the thermoelectric properties indicated the influence of a strong point defect scattering, resulting in large decreases in Hall mobility and thermal conductivity. The potential for high ZT values in CoSb(sub 3)-IrSb(sub 3) solid solutions is discussed.

mobility↗
DOE OSTI2025

Switching kinetics in ferroelectric zinc magnesium oxide thin films

The switching kinetics of RF-magnetron reactively sputtered ~200 nm thick Zn 1-x Mg x O (ZMO) ferroelectric thin films with x = 0.41 and x = 0.27 prepared on Pt/Ti/SiO 2 /Si substrates were studied at applied fields near the coercive fields, ranging from 3.4 to 5.1 MV cm -1 , and at temperatures ranging from room temperature to 100 °C. Polarization reversal in ZMO followss the Kolmogorov-Avrami-Ishibashi kinetics model for nucleation and growth at applied fields near the coercive field, and obeys an individual column switching (ICS) model at higher applied fields required to switch most of the spontaneous polarization. Switching in the high-applied field regime can be described using either the Gaussian or inverse gamma distribution functions depending on the mole fraction of magnesium in the film. The switching current transients of the high-Mg content ZMO film (x = 0.41) are always bi-modal, whereas the low Mg composition film (x = 0.27) is described by the Gaussian distribution initially following wake-up, and becomes bimodal with continued cycling. Rayleigh-like behavior of the dielectric constant revealed a simultaneous increase of the irreversible and decrease of the reversible contributions to the dielectric constant, which was ascribed to an increase in the density of mobile domain walls with cycling and resulted in faster switching.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2024

Free-Charge Carrier Generation in Homojunction Non-Polymeric Organic Semiconductor Films - The Role of the Optical Frequency Dielectric Constant

Engineering the dielectric constant (..epsilon..) to lower the exciton binding energy of the light-absorbing semiconductor can improve organic photovoltaic (OPV) device performance. Here, a series of materials are reported with 2-(3-oxo-2,3-dihydro-1H-inden-1-ylidene)malononitrile (INCN) acceptor end groups and a central glycolated bis(4H-cyclopenta[2,1-b:3,4-b']dithiophene) unit with large low-frequency (..epsilon..lf = 7.4-7.9 at 0.1-0.2 MHz) and optical-frequency (..epsilon..opt up to 6.6 at 2 x 1014 Hz) dielectric constants. The INCN end groups differed in whether they were protonated, chlorinated, or fluorinated, with the latter having the highest ..epsilon..opt. An ..epsilon..opt of 6.6 is predicted to lead to a low exciton binding energy of ~0.04 eV. Time-resolved microwave conductivity measurements showed a temperature-dependent yield-mobility product, with it increasing linearly from 340 K. The onset temperature was near that required to overcome the calculated exciton binding energy and indicates increased free charge generation in a homojunction film. Room temperature transient absorption spectroscopy revealed that photoexcitation rapidly converted to a lower energy state that was consistent with the formation of polarons or a charge transfer state. This work provides experimental evidence of the importance of ..epsilon..opt for the generation of free charges, and a strategy for development of efficient single chromophore homojunction OPV devices.

charge generation↗
DOE OSTI2024

Ultrawide bandgap semiconductor heterojunction p–n diodes with distributed polarization-doped p-type AlGaN layers on bulk AlN substrates

Ultrawide bandgap heterojunction p–n diodes with polarization-induced AlGaN p-type layers are demonstrated using plasma-assisted molecular beam epitaxy on bulk AlN substrates. Current–voltage characteristics show a turn-on voltage of Vbi≈5.5 V, a minimum room temperature ideality factor of η≈1.63, and more than 12 orders of current modulation at room temperature. A stable current operation of the ultrawide bandgap semiconductor diode is measured up to a temperature of 300 °C. The one-sided n+–p heterojunction diode design enables a direct measurement of the spatial distribution of polarization-induced mobile hole density in the graded AlGaN layer from the capacitance–voltage profile. The measured average mobile hole density is p∼5.7×1017 cm−3, in close agreement with what is theoretically expected from distributed polarization doping. Light emission peaked at 260 nm (4.78 eV) observed in electroluminescence corresponds to interband radiative recombination in the n+ AlGaN layer. A much weaker deep-level emission band observed at 3.4 eV is attributed to cation-vacancy and silicon complexes in the heavily Si-doped AlGaN layer. These results demonstrate that distributed polarization doping enables ultrawide bandgap semiconductor heterojunction p–n diodes that have wide applications ranging from power electronics to deep-ultraviolet photonics. These devices can operate at high temperatures and in harsh environments.

Physics↗
DOE OSTI2020

Visualizing Oxidation Mechanisms in Few-Layered Black Phosphorus via In Situ Transmission Electron Microscopy

Layered two-dimensional (2D) black phosphorus (BP) exhibits novel semiconducting properties including a tunable bandgap and high electron mobility. However, the poor stability of BP in ambient environment severely limits potential for application in future electronic and optoelectronic devices. While passivation or encapsulation of BP using inert materials/polymers has emerged as a plausible solution, a detailed fundamental understanding of BP's reaction with oxygen is imperative to rationally advance its use in applications. Here, we use in situ environmental transmission electron microscopy to elucidate atomistic structural changes in mechanically exfoliated few-layered BP during exposure to varying partial pressures of oxygen. An amorphous oxide layer is seen on the actively etching BP edges, and the thickness of this layer increases with increasing oxygen partial pressure, indicating that oxidation proceeds via initial formation of amorphous P x O y species which sublime to result in the etching of the BP crystal. We observe that while few-layered BP is stable under the 80 kV electron beam (e-beam) in vacuum, the lattice oxidizes and degrades at room temperature in the presence of oxygen only in the region under the e-beam. The oxidative etch rate also increases with increasing e-beam dosage, suggesting the presence of an energy barrier for the oxidation reaction. Preferential oxidative etching along the [0 0 1] and [0 0 1] crystallographic directions is observed, in good agreement with density functional theory calculations showing favorable thermodynamic stability of the oxidized BP (0 0 $\bar{1}$) planes compared to the (1 0 0) planes. Finally, we expect the atomistic insights and fundamental understanding obtained here to aid in the development of novel approaches to integrate BP in future applications.

2D materials↗