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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Characterization of a LaB6 tip as a thermionically enhanced photoemitter

There is a widespread interest in time-resolved electron spectroscopies such as ultrafast electron diffraction, ultrafast electron microscopy, and ultrafast electron energy loss spectroscopy. These techniques require pulsed electron beams with both high current and brightness. LaB6 is commonly used as a thermionic emitter because of its low work function and high electron yield. However, its use as a pulsed photocathode has not been widely explored. Here, we present measurements of the electron yield from a LaB6 filament exposed to 392 nm UV ultrafast laser pulses under a wide range of filament temperatures. We find that sample heating strongly enhances photoelectron yield, an effect known as thermionically enhanced photoemission. However, it also creates potentially undesirable, continuous thermionic background. We conclude that the ideal optimal operating conditions strongly depend on the type of measurement and require defining and quantifying an appropriate figure of merit.

Physics↗
DOE OSTI2024

Laser-stimulated photodetachment of electrons from the negatively charged dielectric substrates

The photon-stimulated emission of bulk electrons has been extensively studied for various types of materials, while the photodetachment of surplus surface electrons has not been fully explored. The photodetachment barrier energy is commonly defined by the surface electron affinity of material, which is typically less than the work function and more pronounced for non-conducting substrates and in environments with a continuous flux of electrons to the surface, such as in gas discharge plasmas. Herein, it is experimentally shown that the photodetachment yield of surplus electrons created by plasma-induced charging of non-conductive surfaces of dielectric materials depends on the initial surface charge density and do not correlate with the tabulated affinity values of these materials under gas discharge charging conditions. In cocnclusion, this result obtained using laser-stimulated photodetachment for fused silica, boron nitride, and alumina, is critically important for the understanding of charging and discharging dynamics, secondary electron emission, and photo emission effects affecting plasma–wall interactions relevant to surface and capacitively coupled discharges, dusty plasmas, electrostatic probe diagnostics, and applications for plasma processing of materials, plasma propulsion, and gas breakdown.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Triboplasma assisted chemical conversion in granular systems: a semi-analytic model

We present a semi-analytic model for a novel plasma-assisted chemical conversion pathway using triboplasmas generated in granular flows. Triboelectric charge relaxation is a well known phenomena where the potential generated from contact charging of particles exceeds the breakdown voltage of the background gas. In this work, we extend the triboelectric charge relaxation theory to include non equilibrium plasma energy and particle balance equations to predict the formation of dissociated and excited species that act as precursors to chemical conversion, for example in plasma-assisted ammonia synthesis. Our example case study with nitrogen background gas and teflon/aluminum tribomaterial system yielded high excited nitrogen species densities per collision that are comparable to current plasma-assisted conversion pathways. We also present a regime diagram for various gases where Paschen breakdown parameters are used to determine whether triboplasmas can be formed for a given effective work-function difference between two materials. Our sensitivity studies indicate particle velocity, particle radius, solids fraction and space charge effects play a critical role in overall plasma densities and excited species production.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Stable Photoemission from the Wehnelt Aperture Surface in 4D Ultrafast Electron Microscopy

Here we show that photoemission with high long-term stability that is immediate and robust can be generated from the surface of the Wehnelt aperture in a TEG-based UEM. Further, we show that the resulting photobeam quality can be at least as good as that from LaB 6 , whether under photo or thermionic operation. We hypothesize that the energy distribution and the temporal properties of the beam are improved relative to LaB 6 owing to the closer match of photon energy to aperture work function.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Theoretical Analysis of Resonant Tunneling Enhanced Field Emission

In this paper, we develop an exact analytical quantum theory for field emission from surfaces with a nearby quantum well, by solving the one-dimensional time-independent Schrödinger equation. The quantum well, which may be introduced by ions, atoms, nanoparticles, etc., is simplified as a square potential well with depth H, width d, and distance to the surface L. The theory is used to analyze the effects of the quantum well (d, H, and L), the cathode properties (work function W and Fermi energy E F ), and dc field F. It is found that the quantum well can lead to resonant tunneling enhanced field emission up to several orders of magnitude larger than that from bare cathode surfaces. In the meantime, the electron-emission-energy spectrum is significantly narrowed. The strong enhancement region is bounded by the conditions eFL + H ≥ W + C and eFL ≤ W, with e being the elementary charge (positive) and C a constant dependent on dc field F. It is also found that the linear shift of resonance peaks in the electron-emission-energy spectrum with dc field F follows ε p =ε p⁢0 –e⁢FL, with ε p⁢0 being approximately the eigenenergies for electrons confined in a square potential well without a dc field. Finally, the theory provides insights for the design of high-efficiency field emitters, which can produce a high current and highly collimated electron beams.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Angle-resolved pair photoemission theory for correlated electrons

Here in this paper we consider the possibility and conditions for pair photoemission whereby two incident photons emit pairs of electrons from a candidate material as a novel method to measure and visualize electronic correlations. As opposed to double photoemission - where a single photon precipitates the ejection of a pair electrons via a subsequent electron energy loss scattering process - we show that pair photoemission need not be limited to interference between initial photoelectrons and valence electrons, and moreover, can occur without the energy penalty of two work functions. This enables detection of pairs of electrons at high energy resolution that may be correlated in the same quantum many-body states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Manipulating topological properties in Bi 2 Se 3 / BiSe /transition metal dichalcogenide heterostructures with interface charge transfer

Heterostructures of topological insulator Bi 2 Se 3 on transition metal dichalcogenides (TMDCs) offer a new materials platform for studying novel quantum states by exploiting the interplay among topological orders, charge orders and magnetic orders. Here, the diverse interface attributes, such as material combination, charge re-arrangement, defect and strain, can be utilized to manipulate the quantum properties of this class of materials. Recent experiments of Bi 2 Se 3 /NbSe 2 heterostructures show signatures of strong Rashba band splitting due to the presence of a BiSe buffer layer, but the atomic level mechanism is not fully understood. We conduct first-principles studies of the Bi 2 Se3/BiSe/TMDC heterostructures with five different TMDC substrates (1T phase VSe 2 , MoSe 2 , TiSe 2 , and 2H phase NbSe 2 , MoSe 2 ). We find significant charge transfer at both BiSe/TMDC and Bi 2 Se 3 /BiSe interfaces driven by the work function difference, which stabilizes the BiSe layer as an electron donor and creates interface dipole. The electric field of the interface dipole breaks the inversion symmetry in the Bi 2 Se 3 layer, leading to the giant Rashba band splitting in two quintuple layers and the recovery of the Dirac point in three quintuple layers, with the latter otherwise only occurring in thicker samples with at least six Bi 2 Se 3 quintuple layers. Besides, we find that strain can significantly affect the charge transfer at the interfaces. Our study presents a promising avenue for tuning topological properties in heterostructures of two-dimensional materials, with potential applications in quantum devices.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Optical tuning of the diamond Fermi level measured by correlated scanning probe microscopy and quantum defect spectroscopy

Quantum technologies based on quantum point defects in crystals require control over the defect charge state. Here we tune the charge state of shallow nitrogen-vacancy and silicon-vacancy centers by locally oxidizing a hydrogenated surface with moderate optical excitation and simultaneous spectral monitoring. The loss of conductivity and change in work function due to oxidation are measured in atmosphere using conductive atomic force microscopy and Kelvin probe force microscopy (KPFM). We correlate these scanning probe measurements with optical spectroscopy of the nitrogen-vacancy and silicon-vacancy centers created via implantation 15–25 nm beneath the diamond surface and annealing. The observed charge state of the defects as a function of optical exposure demonstrates that laser oxidation provides a way to precisely tune the Fermi level over a range of at least 2.00 eV. We also observe a significantly larger oxidation rate for implanted surfaces compared to unimplanted surfaces under ambient conditions. Here, combined with knowledge of the electron affinity of a surface, these results suggest KPFM is a powerful, high-spatial-resolution technique to advance surface Fermi level engineering for charge stabilization of quantum defects.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Combinatorial Study of MZO Emitters for CdTe-Based Solar Cells

Precise band alignment at the front interface of CdTe-based solar cells is necessary to reduce photoexcited charge carrier recombination and to enable higher energy conversion efficiencies. Magnesium zinc oxide is not only transparent but also offers the ability to tune the conduction band offset with CdTe at the front of the device stack. In this work, we describe reactive sputtering of Mg 1-x Zn x O using metal targets and its application in CdTe photovoltaics. Combinatorial libraries of Mg 1-x Zn x O were created to tune the conduction band alignment for the optimal performance of CdTe solar cells. Band gap variation of more than 0.4 eV is achieved across a 3-inch substrate. Kelvin probe measurements demonstrate variance of work function across the substrate. Device performance is optimized at band gaps of 3.5 eV for the CdTe device processing conditions employed in this study.

14 SOLAR ENERGY↗
DOE OSTI2021

In-Operando Characterization of P-I-N Perovskite Solar Cell Under Reverse Bias

A solar module is often exposed to a variety of intensity and uniformity illumination conditions throughout a day. In the field, objects or dirt can block light from hitting the module creating a partial shading event. When a partial shading event occurs the module power point tracking system will typically push the shaded cells into reverse bias in order to avoid the current loss from the other series connected illuminated cells. When perovskite solar cells are operated in reverse bias, electrochemical reactions can occur, leading to both reversible and irreversible performance losses. Excess holes generated by reverse bias cause and push the oxidation reaction of halide ions from the lattice to neutral halogen interstitial. Small interstitial halogen atoms can diffuse across the device and potentially move from the perovskite layer and into the transport layers, shifting the fermi levels in the devices. In this investigation we utilize cross-sectional kelvin probe atomic force microscopy to map the band energetics of perovskite solar cells during reverse bias. We observe a 150 meV decrease in the work function of the C 60 . This leads to a decrease of 150 mV and 4 mA/cm 2 in V oc and in J sc respectively. Finally, we discuss methods to prevent this irreversible degradation after a perovskite device is held under reverse bias.

fullerene↗
DOE OSTI2021

Al 0.7 Ga 0.3 N MESFET With All-Refractory Metal Process for High Temperature Operation

In this work, ultrawide bandgap Al 0.7 Ga 0.3 N MESFETs with refractory Tungsten Schottky and Ohmic contacts are studied in 300–675 K environments. Variable-temperature dc electrical transport reveals large ON-state drain current densities for an AlGaN device: 209 mA/mm at 300 K and 156 mA/mm at 675 K in the ON-state (25% reduction). Drain and gate currents are only weakly temperature-dependent, suggesting potential for engineering temperature invariant operation. The ON-/ OFF-ratio is limited by OFF-state leakage through the gate, which is attributed to damage from sputter deposition. Future work using refractory metals with larger work functions that are deposited by electron beam deposition is proposed.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Design, Modeling, and Control of a Hardware-in-the-Loop Testbed for Off-Road Vehicles

This paper presents the design, modeling, and control of a hardware-in-the-loop (HIL) testbed for off-road vehicles. The proposed HIL testbed employs a transient hydrostatic dynamometer to load a diesel engine to emulate any loading cycles of a wheel loader, which is a representative off-road vehicle. A fully validated wheel loader model is used to calculate the engine load, including both the drive and work functions. Besides, iterative learning control (ILC) has been designed for the loading torque tracking of the hydrostatic dynamometer to ensure accurate emulation of real-world operation scenarios. The developed HIL testbed is used to demonstrate more than 26% energy benefits of automated wheel loaders through systematic optimization compared with human-operated wheel loaders. As a result, this HIL testbed serves as a robust platform for advancing research and development across various off-road vehicles, including excavators, tractors, and harvesters.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2019

A new metal transfer process for van der Waals contacts to vertical Schottky-junction transition metal dichalcogenide photovoltaics

Two-dimensional transition metal dichalcogenides are promising candidates for ultrathin optoelectronic devices due to their high absorption coefficients and intrinsically passivated surfaces. To maintain these near-perfect surfaces, recent research has focused on fabricating contacts that limit Fermi-level pinning at the metal-semiconductor interface. Here, we develop a new, simple procedure for transferring metal contacts that does not require aligned lithography. Using this technique, we fabricate vertical Schottky-junction WS 2 solar cells, with Ag and Au as asymmetric work function contacts. Under laser illumination, we observe rectifying behavior and open-circuit voltage above 500 mV in devices with transferred contacts, in contrast to resistive behavior and open-circuit voltage below 15 mV in devices with evaporated contacts. One-sun measurements and device simulation results indicate that this metal transfer process could enable high specific power vertical Schottky-junction transition metal dichalcogenide photovoltaics, and we anticipate that this technique will lead to advances for two-dimensional devices more broadly.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Holistic energy landscape management in 2D/3D heterojunction via molecular engineering for efficient perovskite solar cells

Constructing two-dimensional (2D) perovskite atop of 3D with energy landscape management is still a challenge in perovskite photovoltaics. Here, we report a strategy through designing a series of π-conjugated organic cations to construct stable 2D perovskites and to realize delicate energy level tunability at 2D/3D heterojunctions. As a result, the hole transfer energy barriers can be reduced both at heterojunctions and within 2D structures, and the preferable work function shift reduces charge accumulation at interface. Leveraging these insights and also benefitted from the superior interface contact between conjugated cations and poly(triarylamine) (PTAA) hole transporting layer, a solar cell with power conversion efficiency of 24.6% has been achieved, which is the highest among PTAA-based n-i-p devices to the best of our knowledge. The devices exhibit greatly enhanced stability and reproducibility. This approach is generic to several hole transporting materials, offering opportunities to realize high efficiency without using the unstable Spiro-OMeTAD.

14 SOLAR ENERGY↗
DOE OSTI2021

Synthesis of borophane polymorphs through hydrogenation of borophene

Synthetic two-dimensional polymorphs of boron, or borophene, have attracted attention because of their anisotropic metallicity, correlated-electron phenomena, and diverse superlattice structures. Although borophene heterostructures have been realized, ordered chemical modification of borophene has not yet been reported. Here, we synthesize “borophane” polymorphs by hydrogenating borophene with atomic hydrogen in ultrahigh vacuum. Through atomic-scale imaging, spectroscopy, and first-principles calculations, the most prevalent borophane polymorph is shown to possess a combination of two-center–two-electron boron-hydrogen and three-center–two-electron boron-hydrogen-boron bonds. Borophane polymorphs are metallic with modified local work functions and can be reversibly returned to pristine borophene through thermal desorption of hydrogen. Hydrogenation also provides chemical passivation because borophane reduces oxidation rates by more than two orders of magnitude after ambient exposure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Improved Hydrogen Sensitivity and Selectivity in PdO with Metal-Organic Framework Membrane

Metal-organic frameworks (MOFs) are highly designable porous materials and are recognized for their exceptional selectivity as chemical sensors. However, they are not always suitable for incorporation with existing sensing platforms, especially sensing modes that rely on electronic changes in the sensing material (e.g., work-function response or conductometric response). One way that MOFs can be utilized is by growing them as a porous membrane on a sensing layer and using the MOF to affect the electronic structure of the sensing layer. In this paper, a proof-of-concept for electronic modulation with MOFs is demonstrated. A PdO nanoparticle sensing layer on a chemical-sensitive field-effect-transistor is made more sensitive to a reducing gas, hydrogen, and less sensitive to oxidizng molecules, like H 2 S and NO 2 , by growing a layer of the MOF “ZIF-8” over the nanoparticles. The proposed mechanism is supported by X-ray photoelectron spectroscopy showing that the ZIF-8 membrane partially reduces the PdO sensing layer.

Gardner, David W. (ORCID:0000000193518391)↗
DOE OSTI2024

Controlling structure and interfacial interaction of monolayer TaSe2 on bilayer graphene

Abstract Tunability of interfacial effects between two-dimensional (2D) crystals is crucial not only for understanding the intrinsic properties of each system, but also for designing electronic devices based on ultra-thin heterostructures. A prerequisite of such heterostructure engineering is the availability of 2D crystals with different degrees of interfacial interactions. In this work, we report a controlled epitaxial growth of monolayer TaSe 2 with different structural phases, 1 H and 1 T , on a bilayer graphene (BLG) substrate using molecular beam epitaxy, and its impact on the electronic properties of the heterostructures using angle-resolved photoemission spectroscopy. 1 H -TaSe 2 exhibits significant charge transfer and band hybridization at the interface, whereas 1 T -TaSe 2 shows weak interactions with the substrate. The distinct interfacial interactions are attributed to the dual effects from the differences of the work functions as well as the relative interlayer distance between TaSe 2 films and BLG substrate. The method demonstrated here provides a viable route towards interface engineering in a variety of transition-metal dichalcogenides that can be applied to future nano-devices with designed electronic properties.

36 MATERIALS SCIENCE↗
DOE OSTI2024

In Situ Plasma processing of SRF cuperconducting cavities at JLAB, 2024 Update

Jefferson Lab has an ongoing R&D program in plasma processing. The experimental program investi-gated processing using argon/oxygen and heli-um/oxygen gas mixtures. Plasma processing is a com-mon technique where the free oxygen produced by the plasma breaks down and removes hydrocarbons from surfaces. This increases the work function and reduces the secondary emission coefficient. The initial focus of the effort was processing C100 cavities by injecting RF power into the high order mode (HOM) coupler ports. We also developed the methods for establishing a plasma in C75 cryomodules where the RF power is injected via the fundamental power-coupler. Four C100 cryomodules were in situ processed in the CE-BAF accelerator in May 2023 with the cryomodules returning to an operational status in Sept. 2023. The overall operational energy gain for the four cryomod-ules was 49 MeV. Methods, systems and results from processing cryomodules in the CEBAF accelerator and vertical test results are presented. Current status and future plans are discussed.

Powers, T.↗