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At least 19 records

Ab Initio Dynamics of Graphene and Graphyne Electrodes in Vacuum and in the Presence of Electrolytes

Graphene and graphyne electrodes are both relevant for electrochemical energy storage applications due to their unique physical, chemical, and electronic properties. Graphyne has been considered even more attractive than graphene due to its larger specific surface area, greater electronic mobility, and intrinsic band gap. The analyses presented in this work reveal relevant features of graphyne in an interaction with an electrolyte that can be useful for practical applications. Although there is already a considerable volume of work on graphyne, the analysis of its properties taking into account the dynamics of its network and the interaction with the condensed medium has not yet been presented. Here, ab initio molecular dynamics simulations were performed to study the energetic, structural, spectroscopic, and electronic properties of graphene and graphyne electrodes in vacuum and in the presence of an electrolyte (EMIM-BF 4 ). A detailed analysis of the electrode–electrolyte interaction is reported for both systems. Structural features are presented in terms of both radial and spatial distribution functions and angular orientation distributions. Power spectral analyses and molecular orbital maps provided important insights into the intermolecular interactions in graphene and graphyne systems, describing the main differences as well as revealing similarities between them.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Plasma Cleaning Research for Z

Z is a high-current pulsed-power generator located at Sandia National Laboratories. It is capable of delivering 100-ns, 30-MA current pulses to loads used for materials studies, weapons-effects simulation, and nuclear-fusion research. Under some conditions, a significant fraction of the current does not reach the load but is shunted across the inter-electrode vacuum gap that leads to the load. That undesirable current loss is thought to be due to excessive plasma generation and flow from the electrodes into the vacuum gap. Much past work suggests that this current loss may be reduced if contaminants on or near the surfaces of the electrodes are removed by plasma discharge cleaning. This report describes light-lab work performed in the past year to evaluate and understand plasma cleaning, and to develop the technology required for future tests on Z.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Overview spectra and axial distribution of spectral line intensities in a high-current vacuum arc with CuCr electrodes

Spectroscopic investigations of free-burning vacuum arcs in diffuse mode with CuCr electrodes are presented. The experimental conditions of the investigated arc correspond to the typical system for vacuum circuit breakers. Spectra of six species Cu I, Cu II, Cu III, Cr I, Cr II, and Cr III have been analyzed in the wavelength range 350–810 nm. The axial intensity distributions were found to be strongly dependent on the ionization stage of radiating species. Emission distributions of Cr II and Cu II can be distinguished as well as the distributions of Cr III and Cu III. Information on the axial distribution was used to identify the spectra and for identification of overlapping spectral lines. The overview spectra and some spectral windows recorded with high resolution are presented. Analysis of axial distributions of emitted light, which originates from different ionization states, is presented and discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Effect of argon gas flow rate on properties of film electrodes prepared by thermal vacuum evaporation from synthesized Cu{sub 2}SnSe{sub 3} source

This work describes a new technique to enhance photoresponse of metal chalcogenide-based semiconductor film electrodes deposited by thermal vacuum evaporation under argon gas flow from synthesized Cu{sub 2}SnSe{sub 3} sources. SnSe formation with Cu-doped was obtained under higher argon gas flow rate (V{sub A} = 25 cm{sup 3}/min). Higher value of photoresponse was observed for films deposited under V{sub A} = 25 cm{sup 3}/min which was 9.1%. This finding indicates that Cu atoms inside the SnSe film were important to increase carrier concentrations that promote higher photoresponse.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Vacuum-free laminated top electrode with conductive tapes for scalable manufacturing of efficient perovskite solar cells

The efficiency of organometal trihalide perovskites (OTP) solar cells have reached that parity of single crystal silicon, and its nature abundant raw material and solution-process capability promise a bright future for commercialization. However, the vacuum based techniques for metal electrode deposition and additional encapsulation layer increase the cost of the perovskite solar cells dramatically and impede their commercialization process. Here, we report a vacuum-free low temperature lamination technique to fabricate the top electrode by commercial conductive tapes (C-tape). The simple fabrication method yields good quality contact and high efficiency device of 12.7%. The C-tapes also encapsulated the devices effectively, resulting in greatly improved device stability. As a result, the combination of lamination of electrodes and encapsulation layers into a single step significantly reduce the cost of device fabrication.

14 SOLAR ENERGY↗

Transparency of graphene for low-energy electrons measured in a vacuum-triode setup

Graphene, being an atomically thin conducting sheet, is a candidate material for gate electrodes in vacuum electronic devices, as it may be traversed by low-energy electrons. The transparency of graphene to electrons with energies between 2 and 40 eV has been measured by using an optimized vacuum-triode setup. The measured graphene transparency equals ∼60% in most of this energy range. Based on these results, nano-patterned sheets of graphene or of related two-dimensional materials are proposed as gate electrodes for ambipolar vacuum devices.

36 MATERIALS SCIENCE↗

Inverted Geometry Ceramic Insulators in High Voltage DC Electron Guns for Accelerators

A direct current (dc) high voltage photo-emission electron gun operating at 130 kV is utilized at the Jefferson Lab (JLab) Continuous Electron Beam Accelerator Facility to generate spin-polarized electrons for nuclear physics experiments. Over the past decade, JLab has tested and implemented inverted-geometry ceramic insulators in photoguns, connecting the cathode electrode in vacuum to the high voltage power supply using commercial high voltage cables. This contribution reports on tests performed up to 375 kV dc, implementation of inverted insulators in a 300 kV dc photogun generating magnetized electron beams, and describes plans to develop a reliable insulator-cable connector for applying 500 kV dc to a future polarized beam photogun operating reliably and without field emission at 350 kV.

Hernandez-Garcia, C.↗

Transition voltages of vacuum-spaced and molecular junctions with Ag and Pt electrodes

The transition voltage of vacuum-spaced and molecular junctions constructed with Ag and Pt electrodes is investigated by non-equilibrium Green's function formalism combined with density functional theory. Our calculations show that, similarly to the case of Au-vacuum-Au previously studied, the transition voltages of Ag and Pt metal-vacuum-metal junctions with atomic protrusions on the electrode surface are determined by the local density of states of the p-type atomic orbitals of the protrusion. Since the energy position of the Pt 6p atomic orbitals is higher than that of the 5p/6p of Ag and Au, the transition voltage of Pt-vacuum-Pt junctions is larger than that of both Ag-vacuum-Ag and Au-vacuum-Au junctions. When one moves to analyzing asymmetric molecular junctions constructed with biphenyl thiol as central molecule, then the transition voltage is found to depend on the specific bonding site for the sulfur atom in the thiol group. In particular agreement with experiments, where the largest transition voltage is found for Ag and the smallest for Pt, is obtained when one assumes S binding at the hollow-bridge site on the Ag/Au(111) surface and at the adatom site on the Pt(111) one. This demonstrates the critical role played by the linker-electrode binding geometry in determining the transition voltage of devices made of conjugated thiol molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Effect of Si Content in Electrode and SiO2 Additions to the Slag during Electroslag Remelting

Evolution of Si concentration in 316 stainless steel electrodes was observed during a melting campaign consisting of recycling electroslag remelted (ESR) ingots to make new electrodes using vacuum induction melting (VIM). This campaign consisted of iterations of VIM + ESR operations to optimize melting parameters. The effect of Si content on the melt parameters and ingot quality was further evaluated and additions of SiO2 to the slag chemistry were studied using research-scale experiments, x-ray diffraction (XRF), combustion analysis, visual inspections, and computational tools. The Si concentration was found to decrease by approximately 600 ppm following ESR of 150 lb. research-scale electrodes. Eventually, this led to failure of the slag skin and direct ingot/crucible contact. Additions of SiO2 to the slag at levels matching the original calculated Si concentration in the electrode did not eliminate the slag skin failure and the current during steady state increased to maintain a constant melt rate. In this investigation, we propose a mechanism of slag skin failure consisting of local concentration of current density due to absence, or breakage, of the SiO2 layer around the molten metal drop during ESR. This theory was reinforced by additional experiments in which Nb was added to the electrode to change the structure of the oxide layer around the drops.

Jablonski, Paul↗

Toward single electron resolution phonon mediated ionization detectors

Experiments seeking to detect rare event interactions such as dark matter or coherent elastic neutrino nucleus scattering are striving for large mass detectors with very low detection threshold. Using Neganov-Luke phonon amplification effect, the Cryogenic Dark Matter Search (CDMS) experiment is reaching unprecedented RMS resolutions of ~14 eV ee . CDMSlite is currently the most sensitive experiment to WIMPs of mass ~5 GeV/c 2 but is limited in achieving higher phonon gains due to an early onset of leakage current into Ge crystals. The contact interface geometry is particularly weak for blocking hole injection from the metal, and thus a new design is demonstrated that allows high voltage bias via vacuum separated electrode. With an increased bias voltage and a×2 Luke phonon gain, world best RMS resolution of sigma ~7 eV ee for 0.25 kg (d=75 mm, h=1 cm) Ge detectors was achieved. Since the leakage current is a function of the field and the phonon gain is a function of the applied voltage, appropriately robust interface blocking material combined with thicker substrate (25 mm) will reach a resolution of ~2.8 eV ee . In order to achieve better resolution of ~ eV, we are investigating a layer of insulator between the phonon readout surface and the semiconductor crystals.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Solid-State Thyratron Replacement. Final Report

Under this SBIR, DTI developed a solid-state switch as an alternative to legacy thyratron equipment. Our Phase II objective was to make a solid-state thyratron replacement that would provide equivalent or better performance, much higher reliability (at least a 20 year lifetime, compared to a thyratron’s two-year lifetime) and would sell for ~3x the cost of a thyratron, or less than $40k. We were successful in building a solid-state switch which could reliably function as a thyratron replacement. The unit was designed to directly replace the thyratrons currently being used at SLAC’s Linac Coherent Light Source (LCLS), and was built in a tank that was small enough to fit into the existing thyratron cabinet, providing a true form-fit-function replacement path. We tested the switch at the full operating specifications: 48 kV, 6.3 kA, and 1 µs risetime. We also demonstrated a peak-to-peak pulse jitter of 1.5 ns, which is five times shorter than is typical for thyratrons. This lower jitter would improve the performance of the LCLS beam. The predicted reliability is more than 80 years, which is 40 times greater than a thyratron.

47 OTHER INSTRUMENTATION↗

Simulation study of a 'fission electron-collection' neutron detector

In this work, a 'fission electron-collection' neutron detector was studied using the Monte Carlo method. The detector consists of two metal electrodes mounted in a vacuum, named coated and collection electrodes, respectively. The first electrode is coated with triuranium octoxide. The detector uses the 'fission electron-collection' technique, which does not need an intermediate material but directly collects electrons from the coating. Such a detector can realize a flat energy response and a fast time response, both of which are important in the fluence measurement of pulsed neutron sources. In this paper, the physical processes of detection are presented, as well as Monte Carlo simulation studies using the Geant4 toolkit. From the results, the sensitivity of the detector is approximately 1.5 x 10{sup -21} [C/(n/cm{sup 2})], and the FWHM of response function is 2.5 nanoseconds. Additionally, the characterization of escaping electrons is also presented, and the sensitivity of the detector is determined for various coating thicknesses. (authors)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Evaluation of electropolished stainless steel electrodes for use in DC high voltage photoelectron guns

DC high voltage photoelectron guns are used to produce polarized electron beams for accelerator-based nuclear and high-energy physics research. Low-level field emission (∼nA) from the cathode electrode degrades the vacuum within the photogun and reduces the photoelectron yield of the delicate GaAs-based photocathode used to produce the electron beams. High-level field emission (>μA) can cause significant damage the photogun. To minimize field emission, stainless steel electrodes are typically diamond-paste polished, a labor-intensive process often yielding field emission performance with a high degree of variability, sample to sample. As an alternative approach and as comparative study, the performance of electrodes electropolished by conventional commercially available methods is presented. Our observations indicate the electropolished electrodes exhibited less field emission upon the initial application of high voltage, but showed less improvement with gas conditioning compared to the diamond-paste polished electrodes. In contrast, the diamond-paste polished electrodes responded favorably to gas conditioning, and ultimately reached higher voltages and field strengths without field emission, compared to electrodes that were only electropolished. The best performing electrode was one that was both diamond-paste polished and electropolished, reaching a field strength of 18.7 MV/m while generating less than 100 pA of field emission. The authors speculate that the combined processes were the most effective at reducing both large and small scale topography. However, surface science evaluation indicates topography cannot be the only relevant parameter when it comes to predicting field emission performance.

42 ENGINEERING↗

Peculiarities of the Short-Pulse Dielectric Strength of Vacuum Insulation

Results of a study of the short-pulse dielectric strength of millimeter plane vacuum gaps with electrodes that have been treated with an electron beam are presented. It is shown that the electric field strength of the first breakdown of vacuum gaps with pure metal electrodes is determined to a significant extent by the crystal structure of the metal. The development of the first short-pulse breakdown is accompanied by a very abrupt growth of the electric current. The short duration of the test pulses rules out the influence of all well-known inertial mechanisms of breakdown with characteristic action times greater than 20 ns. Some general assumptions regarding the nature of the factors stimulating the short-pulse breakdown of vacuum gaps are considered.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

An SF 6 gas-insulated −500 kV DC conical insulator vacuum feedthrough

A test electrode was biased to −500 kV direct current (DC) by means of a novel SF 6 gas-insulated conical alumina insulator feedthrough. The design enables the extreme high vacuum conditions required by spin-polarized electron sources by reducing the photogun vacuum chamber volume compared to coaxial cylindrical insulators. In contrast to conventional inverted-insulator photogun designs that rely on solid dielectric interfaces for high-voltage terminations, the present design employs a pressurized SF 6 intervening volume between a conical alumina insulator and a modified commercial epoxy high-voltage cable receptacle. Here, this approach enables the use of commercially available cable hardware while extending the demonstrated operating voltage of solid feedthroughs. A maximum voltage of −500 kV was applied to a test electrode attached to the narrow end of the feedthrough inside a chamber filled with SF 6 at 170.3 kPa (10 psig) and later under vacuum to −259 kV, limited by field emission. The results demonstrate that a commercial high-voltage cable combined with a custom-designed SF 6 gas-insulated vacuum feedthrough can be used to bias photogun electrodes to −500 kV DC.

Palacios-Serrano, Gabriel [Thomas Jefferson Nation↗