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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 1,729 records · Page 96
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Anisotropic magnetic entropy change in Cr 2 X 2 Te 6 ( X = Si and Ge )

Intrinsic, two-dimensional (2D) ferromagnetic semiconductors are an important class of materials for spintronics applications. Cr 2 X 2 Te 6 ( X = Si and Ge ) semiconductors show 2D Ising-like ferromagnetism, which is preserved in few-layer devices. The maximum magnetic entropy change associated with the critical properties around the ferromagnetic transition for Cr 2 Si 2 Te 6 - ΔS$max\atop{M}$ ~ 5.05 J kg -1 K -1 is much larger than - ΔS$max\atop{M}$ ~ 2.64 J kg -1 K -1 for Cr 2 Ge 2 Te 6 with an out-of-plane field change of 5 T. The rescaled - ΔS M (T,H) curves collapse onto a universal curve independent of temperature and field for both materials. Here, this indicates similar critical behavior and 2D Ising magnetism, confirming the magnetocrystalline anisotropy that could preserve the long-range ferromagnetism in a few layers of Cr 2 X 2 Te 6 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Development of Quantum Interconnects (QuICs) for Next-Generation Information Technologies

Just as “classical” information technology rests on a foundation built of interconnected information-processing systems, quantum information technology (QIT) must do the same. A critical component of such systems is the “interconnect,” a device or process that allows transfer of information between disparate physical media, for example, semiconductor electronics, individual atoms, light pulses in optical fiber, or microwave fields. While interconnects have been well engineered for decades in the realm of classical information technology, quantum interconnects (QuICs) present special challenges, as they must allow the transfer of fragile quantum states between different physical parts or degrees of freedom of the system. The diversity of QIT platforms (superconducting, atomic, solid-state color center, optical, etc.) that will form a “quantum internet” poses additional challenges. As quantum systems scale to larger size, the quantum interconnect bottleneck is imminent, and is emerging as a grand challenge for QIT. For these reasons, it is the position of the community represented by participants of the NSF workshop on “Quantum Interconnects” that accelerating QuIC research is crucial for sustained development of a national quantum science and technology program. Given the diversity of QIT platforms, materials used, applications, and infrastructure required, a convergent research program including partnership between academia, industry, and national laboratories is required.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Model-Based Dead Time Optimization for Voltage-Source Converters Utilizing Silicon Carbide Semiconductors

Dead time significantly affects the reliability, power quality, and efficiency of voltage-source converters. For silicon carbide (SiC) devices, considering the high sensitivity of turn-off time to the operating conditions (> 5× difference between light load and full load) and characteristics of inductive loads (> 2× difference between motor load and inductor), as well as large additional energy loss induced by the freewheeling diode conduction during the superfluous dead time (~15% of the switching loss), then the traditional fixed dead time setting becomes inappropriate. This paper introduces an approach to adaptively regulate the dead time considering the current operating condition and load characteristics via synthesizing online monitored turn-off switching parameters in the microcontroller with an embedded preset optimization model. Here, based on a buck converter built with 1200-V SiC MOSFETs, the experimental results show that the proposed method is able to ensure reliability and reduce power loss by 12% at full load and 18.2% at light load (8% of the full load in this case study).

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2016

Plasmonic hot carrier dynamics in solid-state and chemical systems for energy conversion

Surface plasmons provide a pathway to efficiently absorb and confine light in metallic nanostructures, thereby bridging photonics to the nano scale. The decay of surface plasmons generates energetic ‘hot’ carriers, which can drive chemical reactions or be injected into semiconductors for nano-scale photochemical or photovoltaic energy conversion. Novel plasmonic hot carrier devices and architectures continue to be demonstrated, but the complexity of the underlying processes make a complete microscopic understanding of all the mechanisms and design considerations for such devices extremely challenging.Here,we review the theoretical and computational efforts to understand and model plasmonic hot carrier devices.We split the problem into three steps: hot carrier generation, transport and collection, and review theoretical approaches with the appropriate level of detail for each step along with their predictions. As a result, we identify the key advances necessary to complete the microscopic mechanistic picture and facilitate the design of the next generation of devices and materials for plasmonic energy conversion.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Improved solar cell performance and reliability through advanced defect characterization and growth studies

When this project began, CIGS and ACIGS solar cells were still well below the Shockley-Queisser efficiency limit for their bandgaps. Literature review from showed that JSC and FF were ~90% of the ideal values depending on the growth, but that VOC was only around 75% of the ideal value, which provided a clear objective to improve CIGS VOC. In polycrystalline CIGS, semiconductor defects (traps) have been shown by many studies to have detrimental impacts on device performance. Thus, the goal of this project was to investigate the sources and impacts of defects in CIGS, model their impact on device performance to predict efficiency improvements, and develop effective mitigation strategies to reduce the overall trap concentrations of these traps.

14 SOLAR ENERGY↗
DOE OSTI2022

Charge Compensation by Iodine Covalent Bonding in Lead Iodide Perovskite Materials

Metal halide perovskite materials (MHPs) are a family of next-generation semiconductors that are enabling low-cost, high-performance solar cells and optoelectronic devices. The most-used halogen in MHPs, iodine, can supplement its octet by covalent bonding resulting in atomic charges intermediate to I− and I0. Here, we examine theoretically stabilized defects of iodine using density functional theory (DFT); defect formation enthalpies and iodine Bader charges which illustrate how MHPs adapt to stoichiometry changes. Experimentally, X-ray photoelectron spectroscopy (XPS) is used to identify perovskite defects and their relative binding energies, and validate the predicted chemical environments of iodine defects. Examining MHP samples with excess iodine compared with near stoichiometric samples, we discern additional spectral intensity in the I 3d5/2 XPS data arising from defects, and support the presence of iodine trimers. I 3d5/2 defect peak areas reveal a ratio of 2:1, matching the number of atoms at the ends and middle of the trimer, whereas their binding energies agree with calculated Bader charges. Results suggest the iodine trimer is the preferred structural motif for incorporation of excess iodine into the perovskite lattice. Understanding these easily formed photoactive defects and how to identify their presence is essential for stabilizing MHPs against photodecomposition.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Charge Carriers Modulate the Bonding of Semiconductor Nanoparticle Dopants As Revealed by Time-Resolved X-ray Spectroscopy

Understanding the electronic structure of doped semiconductors is essential to realize advancements in electronics and in the rational design of nanoscale devices. Here, we report the results of time-resolved X-ray absorption studies on copper-doped cadmium sulfide nanoparticles that provide an explicit description of the electronic dynamics of the dopants. The interaction of a dopant ion and an excess charge carrier is unambiguously observed via monitoring the oxidation state. The experimental data combined with DFT calculations demonstrate that dopant bonding to the host matrix is modulated by its interaction with charge carriers. Additionally, the transient photoluminescence and the kinetics of dopant oxidation reveal the presence of two types of surface-bound ions that create mid-gap states.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Spin-filter and spin-gapless semiconductors: The case of Heusler compounds

We review our recent first-principles results on the inverse Heusler compounds and the ordered quaternary (also known as LiMgPdSn-type) Heusler compounds. Among these two subfamilies of the full-Heusler compounds, several have been shown to be magnetic semiconductors. Such material can find versatile applications, e.g. as spin-filter materials in magnetic tunnel junctions. Finally, a special case are the spin-gapless semiconductors, where the energy gap at the Fermi level for the one spin-direction is almost vanishing, offering novel functionalities in spintronic/magnetoelectronic devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Formation of non-substitutional β-Sn defects in Ge{sub 1−x}Sn{sub x} alloys

Although group IV semiconductor alloys are expected to form substitutionally, in Ge{sub 1−x}Sn{sub x} this is true only for low concentrations (x < 0.13). The use of these alloys as a narrow gap semiconductor depends on the ability to produce samples with the high quality required for optoelectronic device applications. In a previous paper, we proposed the existence of a non-substitutional complex defect (β-Sn), consisting of a single Sn atom in the center of a Ge divacancy, which may account for the segregation of Sn at large x. Afterwards, the existence of this defect was confirmed experimentally. In this paper we study the local environment and the interactions of the substitutional defect (α-Sn), the vacancy in Ge, and the β-Sn defect by performing extensive numerical ab initio calculations. Our results confirm that a β-Sn defect can be formed by natural diffusion of a vacancy around the substitutional α-Sn defect, since the energy barrier for the process is very small.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Eutectic Processing of Semiconductor Colloidal Nanocrystals for Energy Applications

Colloidal semiconductor nanocrystals (NCs) offer a costeffective platform for light-energy conversion in X-ray scintillators, photovoltaics, lasers, and display technologies. Yet, device-relevant NCs often require complex heterostructured compositions, where lattice imperfections compromise the efficiency and stability of photoconversion processes. Here, we show that a simple synthetic detour through a eutectic state of II−VI semiconductor NCs (e.g., CdSe, ZnSe) with halide salts (e.g., CdCl 2 , ZnCl 2 ) overcomes this limitation by melting and reconstructing NC lattices into defect-free alloyed and core/shell architectures. Applied to ternary CdSeTe NCs, this process produces downconverters with record brightness and minimal line widths, delivering a 3-fold increase in film-side external quantum efficiency of commercial CdTe photovoltaic modules (First Solar Inc.). Meanwhile, eutectic processing of CdSe-based core/shell emitters yields an 8-fold enhancement in their photoluminescence stability under backlight operation, addressing the reliability bottleneck for display technologies. Together, these findings establish eutectic NC processing as a scalable route to efficient, durable photoconversion materials for energy applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Microfabricated Ion Traps on Sapphire for Larger Trap Areas and Higher Qubit Count

Surface ion traps are a promising platform for quantum computing due to their potential to store large numbers of ions that can be addressed by electrical and optical control signals in order to implement quantum algorithms. Increasing the power of the quantum computer requires increasing the number of ions, but this poses a significant challenge in that it leads to a non-linear increase in on-chip power dissipation. The primary contributor to this power scaling in current devices is the capacitance between the radio frequency (RF) electrode and the metal plane that shields the silicon substrate from the RF signals applied to it. Silicon has traditionally been chosen for the substrate material for compatibility with the processing required for multi-metal-level traps. In this work, we address these capacitance and fabrication challenges by replacing the commonly used silicon substrate with an insulating sapphire substrate to fabricate a multi-metal-level ion trap, while still employing common semiconductor manufacturing techniques. This change in substrate allows the design to remove the metal shielding from the device design, reducing the capacitance of the RF electrode. The electrical characteristics of these traps were measured, specifically trap impedance, capacitance, and voltage breakdown, and compared to nearly identical silicon trap devices. Finally, we used laser cutting techniques to shape a sapphire wafer into bowtie shapes matching silicon traps previously fabricated at Sandia National Labs to explore solutions for integrating sapphire substrates into non-rectangular ion trap designs.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Transition of Magnetic Characteristics from Paramagnetic State to Ferromagnetic Phase in Ce{sub 1−x}Ni{sub x}O{sub 2} Nanoparticles

Nowadays, oxide-based diluted magnetic semiconductor nanoparticles are the most reliable compounds, wherein they accommodate both spin as well as charge of the electron in single domain, means most preferable for the fabrication of spintronic devices. In this view, we report on new Ce{sub 1−x}Ni{sub x}O{sub 2} (x = 0.00, 0.02, 0.04, 0.06, and 0.08) nanoparticles prepared by precipitation method via polyethylene glycol as a surfactant. XRD analysis revealed that all the synthesized nanoparticles were crystallized in distinct FCC fluorite structure as that of CeO{sub 2} host lattice. Transmission electron microscopy analysis confirmed that all the synthesized samples were in spherical shape with average particle size of 8–10 nm, which is well concord with the grain size estimated from the Scherrer formula. The vibrating sample magnetometer evaluations suggested that pristine host lattice shows signals of paramagnetism; meanwhile, Ni substitution CeO{sub 2} nanoparticles exhibits strong ferromagnetism at room temperature. Particularly, 4% Ni-doped CeO{sub 2} samples shows enhanced ferromagnetism and which is suppressed with raising dopant concentration. The perceived magnetization with respect to the Ni dopant concentration is well anticipated by F-center exchange mechanism. We expect that the observations in this research suggest suitable path for preparing of various oxide-based diluted magnetic semiconductor nanoparticles and their applications in fabrication of spintronic devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Grain engineering: How nanoscale inhomogeneities can control charge collection in solar cells

Statistical and correlative analysis are increasingly important in the design and study of new materials, from semiconductors to metals. Non-destructive measurement techniques, with high spatial resolution, capable of correlating composition and/or structure with device properties, are few and far between. For the case of polycrystalline and inhomogeneous materials, the added challenge is that nanoscale resolution is in general not compatible with the large sampling areas necessary to have a statistical representation of the specimen under study. For the study of grain cores and grain boundaries in polycrystalline solar absorbers this is of particular importance since their dissimilar behavior and variability throughout the samples makes it difficult to draw conclusions and ultimately optimize the material. In this study, we present a nanoscale in-operando approach based on the multimodal utilization of synchrotron nano x-ray fluorescence and x-ray beam induced current collected for grain core and grain boundary areas and correlated pixel-by-pixel in fully operational Cu(In(1-x)Gax)Se2Cu(In(1-x)Gax)Se2 solar cells. We observe that low gallium cells have grain boundaries that over perform compared to the grain cores and high gallium cells have boundaries that under perform. These results demonstrate how nanoscale correlative X-ray microscopy can guide research pathways towards grain engineering low cost, high efficiency solar cells.

14 SOLAR ENERGY↗
DOE OSTI2016

Directional interlayer spin-valley transfer in two-dimensional heterostructures

Van der Waals heterostructures formed by two different monolayer semiconductors have emerged as a promising platform for new optoelectronic and spin/valleytronic applications. In addition to its atomically thin nature, a two-dimensional semiconductor heterostructure is distinct from its three-dimensional counterparts due to the unique coupled spin-valley physics of its constituent monolayers. In this paper, we report the direct observation that an optically generated spin-valley polarization in one monolayer can be transferred between layers of a two-dimensional MoSe 2 –WSe 2 heterostructure. Using non-degenerate optical circular dichroism spectroscopy, we show that charge transfer between two monolayers conserves spin-valley polarization and is only weakly dependent on the twist angle between layers. Finally, our work points to a new spin-valley pumping scheme in nanoscale devices, provides a fundamental understanding of spin-valley transfer across the two-dimensional interface, and shows the potential use of two-dimensional semiconductors as a spin-valley generator in two-dimensional spin/valleytronic devices for storing and processing information.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Ultra‐Steep Slope Impact Ionization Transistors Based on Graphene/InAs Heterostructures

With the continued scaling of transistors, there is a growing trend for developing steep slope transistors with subthreshold swing (SS) below Boltzmann limitation ( k T/ q ). To this end, impact ionization metal oxide semiconductor (I‐MOS) transistors are attractive for a unique combination of high ON‐state current density, small hysteresis, and ultra‐steep SS slope. However, the performance of I‐MOS is generally limited by the relatively thick depletion region and large operation voltage required for the activation of impact ionization (typically >5 V). Herein, a high‐performance I‐MOS is constructed by van der Waals integrating single‐crystal InAs film with graphene. Due to the low bandgap of InAs as well as the semi‐metallic nature of graphene, the InAs/graphene I‐MOS demonstrates a low operation voltage of 1.5 V, high ON‐state current of 230 μA μm −1 , steep SS <0.6 mV dec −1 , and large ON–OFF ratio >10 6 at temperature below 200 K. Furthermore, a negative transconductance and steep current oscillation is observed in the subthreshold regime, and a device working mechanism is proposed for this novel phenomenon. This study not only pushes the performance limit of I‐MOS but also defines a general pathway to van der Waals heterostructures between conventional III–V compound semiconductors and novel 2D materials for unconventional device functions.

Liu, Yuan↗
DOE OSTI2014

Fermi level pinning induced electrostatic fields and band bending at organic heterojunctions

The energy level alignment at interfaces between organic semiconductors is of direct relevance to understand charge carrier generation and recombination in organic electronic devices. Commonly, work function changes observed upon interface formation are interpreted as interface dipoles. In this study, using ultraviolet and X-ray photoelectron spectroscopy, complemented by electrostatic calculations, we find a huge work function decrease of up to 1.4 eV at the C{sub 60} (bottom layer)/zinc phthalocyanine (ZnPc, top layer) interface prepared on a molybdenum trioxide (MoO{sub 3}) substrate. However, detailed measurements of the energy level shifts and electrostatic calculations reveal that no interface dipole occurs. Instead, upon ZnPc deposition, a linear electrostatic potential gradient is generated across the C{sub 60} layer due to Fermi level pinning of ZnPc on the high work function C{sub 60}/MoO{sub 3} substrate, and associated band-bending within the ZnPc layer. This finding is generally of importance for understanding organic heterojunctions when Fermi level pinning is involved, as induced electrostatic fields alter the energy level alignment significantly.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Ultranarrow electroluminescence from magnetic excitons in the van der Waals antiferromagnetic semiconductor NiPS 3

Electrically driven light emission from two-dimensional (2D) semiconducting materials has enabled numerous optoelectronic technologies, including light-emitting diodes, solid-state lasers, and single-photon sources for quantum communication. Here we report ultranarrow electroluminescence from the magnetic excitonic state of the van der Waals antiferromagnetic semiconductor NiPS 3 . This electroluminescence is enabled by the fabrication of gate-tunable NiPS 3 devices that remain electrically conductive below the antiferromagnetic ordering temperature of 155 K, ultimately allowing field-effect mobilities of 1.3 cm 2 V –1 s –1 and 4.5 cm 2 V –1 s –1 to be directly measured at room temperature and 7 K, respectively. By applying a high-frequency square wave voltage to the gate electrode of the resulting field-effect transistors, electroluminescence is capacitively induced from the magnetic excitons of NiPS 3 . Due to the coupling of these excitons with the underlying NiPS 3 antiferromagnetic order, the electroluminescence has an ultranarrow linewidth of 1 meV and a high degree of linear polarization (ρ = 0.78). In addition to facilitating fundamental studies of the coupling between spin states and excitons in van der Waals magnetic semiconductors, this work will accelerate the development of emerging 2D opto-spintronic applications.

two-dimensional materials↗