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DOE OSTI2014

Side-gate modulation effects on high-quality BN-Graphene-BN nanoribbon capacitors

High-quality BN-Graphene-BN nanoribbon capacitors with double side-gates of graphene have been experimentally realized. The double side-gates can effectively modulate the electronic properties of graphene nanoribbon capacitors. By applying anti-symmetric side-gate voltages, we observed significant upward shifting and flattening of the V-shaped capacitance curve near the charge neutrality point. Symmetric side-gate voltages, however, only resulted in tilted upward shifting along the opposite direction of applied gate voltages. These modulation effects followed the behavior of graphene nanoribbons predicted theoretically for metallic side-gate modulation. The negative quantum capacitance phenomenon predicted by numerical simulations for graphene nanoribbons modulated by graphene side-gates was not observed, possibly due to the weakened interactions between the graphene nanoribbon and side-gate electrodes caused by the Ga{sup +} beam etching process.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2023

Orbital control of metal-to-insulator transition in high-entropy nickelates

High-entropy materials have emerged as a promising platform for exploring unique electronic and structural properties. In this study, we investigated the orbital control of the metal-to-insulator transition in thin films of high-entropy nickelates, which are composed of five rare-earth elements in equi-atomic concentrations. By manipulating the levels of misfit strain through substrate choice and film thickness, we modulated the electronic properties and examined the intricate interplay between strain, orbital interactions, and the metal-to-insulator transition. Compared to other nickelates thin films like NdNi O 3 and SmNi O 3 , thin films of high-entropy nickelates exhibited remarkable resilience in maintaining control over their transport properties and orbital polarization, even in the presence of considerable A-site disorder. Further, this finding suggests that the electronic properties of A-site disordered high-entropy nickelates are still governed by the electronic bandwidth, primarily influenced by the Ni-O bonding geometry. This study provides valuable insights into the complex interplay among composition, structure, and electronic properties in perovskite oxides. These insights have the potential to guide the development of perovskite oxide materials with tailored electronic properties for a wide range of applications.

36 MATERIALS SCIENCE↗

DOE OSTI2013

Delivery confirmation of bolus electron conformal therapy combined with intensity modulated x-ray therapy

Purpose: The purpose of this study was to demonstrate that a bolus electron conformal therapy (ECT) dose plan and a mixed beam plan, composed of an intensity modulated x-ray therapy (IMXT) dose plan optimized on top of the bolus ECT plan, can be accurately delivered. Methods: Calculated dose distributions were compared with measured dose distributions for parotid and chest wall (CW) bolus ECT and mixed beam plans, each simulated in a cylindrical polystyrene phantom that allowed film dose measurements. Bolus ECT plans were created for both parotid and CW PTVs (planning target volumes) using 20 and 16 MeV beams, respectively, whose 90% dose surface conformed to the PTV. Mixed beam plans consisted of an IMXT dose plan optimized on top of the bolus ECT dose plan. The bolus ECT, IMXT, and mixed beam dose distributions were measured using radiographic films in five transverse and one sagittal planes for a total of 36 measurement conditions. Corrections for film dose response, effects of edge-on photon irradiation, and effects of irregular phantom optical properties on the Cerenkov component of the film signal resulted in high precision measurements. Data set consistency was verified by agreement of depth dose at the intersections of the sagittal plane with the five measured transverse planes. For these same depth doses, results for the mixed beam plan agreed with the sum of the individual depth doses for the bolus ECT and IMXT plans. The six mean measured planar dose distributions were compared with those calculated by the treatment planning system for all modalities. Dose agreement was assessed using the 4% dose difference and 0.2 cm distance to agreement. Results: For the combined high-dose region and low-dose region, pass rates for the parotid and CW plans were 98.7% and 96.2%, respectively, for the bolus ECT plans and 97.9% and 97.4%, respectively, for the mixed beam plans. For the high-dose gradient region, pass rates for the parotid and CW plans were 93.1% and 94.62%, respectively, for the bolus ECT plans and 89.2% and 95.1%, respectively, for the mixed beam plans. For all regions, pass rates for the parotid and CW plans were 98.8% and 97.3%, respectively, for the bolus ECT plans and 97.5% and 95.9%, respectively, for the mixed beam plans. For the IMXT component of the mixed beam plans, pass rates for the parotid and CW plans were 93.7% and 95.8%. Conclusions: Bolus ECT and mixed beam therapy dose delivery to the phantom were more accurate than IMXT delivery, adding confidence to the use of planning, fabrication, and delivery for bolus ECT tools either alone or as part of mixed beam therapy. The methodology reported in this work could serve as a basis for future standardization of the commissioning of bolus ECT or mixed beam therapy. When applying this technology to patients, it is recommended that an electron dose algorithm more accurate than the pencil beam algorithm, e.g., a Monte Carlo algorithm or analytical transport such as the pencil beam redefinition algorithm, be used for planning to ensure the desired accuracy.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2026

Electronic and Structural Properties of the Polymer-Electrolyte Interphase in Electrochemically Doped Polymers

The advance of soft, polymer-based (photo)electrochemical energy transformation and storage applications requires a framework for polymer and electrolyte design that includes a deep understanding of the polymer–electrolyte interphase. Here, we report on the investigations of two napthalenediimide (NDI)–bithiophene (T2)-based semiconducting copolymers using computational modeling and in situ, ex situ, and operando techniques to reveal how changes in electrolyte and polymer chemistry modulate the electronic and structural properties of polymer electrodes during electrochemical (de)doping. These systems are shown to host an ensemble of polarons, in contrast with the single polaron-like character often reported, whose properties vary with the nature of the local environment. Importantly, these polarons serve as reporters of the nanoscale environments in which they reside. We demonstrate that controlling the polymer and electrolyte chemistry regulates the nature of the charge carriers generated upon electrochemical doping and/or exciton dissociation in a photoelectrochemical solar cell: For instance, divalent counterions enable polaron and bipolaron formation at lower reducing potentials, while supporting more bipolaron formation than monovalent counterions. A novel application of NEXAFS reveals insights into charge (de)localization, providing a pathway for future investigation of electron transport mechanisms. Finally, simulations of polymer swelling of an amorphous interphase show that charge formation has a large impact on polymer swelling and ion penetration. These studies deliver insights to enable the control of charge-carrier and ion transport, the rates of electron transfer and catalytic efficiency, device stability, and overall device performance.

14 SOLAR ENERGY↗

DOE OSTI2015

Opportunities and Challenges in the Development of Smart PV Systems

An update is presented on the background of distributed maximum power point tracking (DMPPT) products, including sub-module power converters, and the performance advantages of distributed (module-level) electronics. Some opportunities and challenges in the field are presented. This presentation was given at the 2015 Trina Solar 'state key laboratory' annual meeting.

14 SOLAR ENERGY↗

DOE OSTI2015

Real-Time Series Resistance Monitoring in PV Systems Without the Need for IV Curves

14 SOLAR ENERGY↗

DOE OSTI2025

C60-Based Ionic Salt Electron Shuttle for High-Performance Inverted Perovskite Solar Modules

Although C60 is usually the electron transport layer (ETL) in inverted perovskite solar cells, its molecular nature of C60 leads to weak interfaces that lead to non-ideal interfacial electronic and mechanical degradation. Here, we synthesized an ionic salt from C60, 4-(1',5'-dihydro-1'-methyl-2'H-[5,6] fullereno-C60-Ih-[1,9-c]pyrrol-2'-yl) phenylmethanaminium chloride (CPMAC), and used it as the electron shuttle in inverted PSCs. The CH2-NH3+ head group in the CPMA cation improved the ETL interface and the ionic nature enhanced the packing, leading to ~3-fold increase in the interfacial toughness compared to C60. Using CPMAC, we obtained ~26% power conversion efficiencies (PCEs) with ~2% degradation after 2,100 hours of 1-sun operation at 65degrees C. For minimodules (four subcells, 6 centimeters square), we achieved the PCE of ~23% with <9% degradation after 2,200 hours of operation at 55degrees C.

14 SOLAR ENERGY↗

DOE OSTI2015

Real-time Series Resistance Monitoring in PV Systems; NREL (National Renewable Energy Laboratory)

We apply the physical principles of a familiar method, suns-Voc, to a new application: the real-time detection of series resistance changes in modules and systems operating outside. The real-time series resistance (RTSR) method that we describe avoids the need for collecting IV curves or constructing full series-resistance-free IV curves. RTSR is most readily deployable at the module level on apply the physical principles of a familiar method, suns-Voc, to a new application: the real-time detection of series resistance changes in modules and systems operating outside. The real-time series resistance (RTSR) method that we describe avoids the need for collecting IV curves or constructing full series-resistance-free IV curves. RTSR is most readily deployable at the module level on micro-inverters or module-integrated electronics, but it can also be extended to full strings. Automated detection of series resistance increases can provide early warnings of some of the most common reliability issues, which also pose fire risks, including broken ribbons, broken solder bonds, and contact problems in the junction or combiner box. We describe the method in detail and describe a sample application to data collected from modules operating in the field.

14 SOLAR ENERGY↗

DOE OSTI2016

Spin-dependent and photon-assisted transmission enhancement and suppression in a magnetic-field tunable ZnSe/Zn{sub 1–x}Mn{sub x}Se heterostructure

Using the effective-mass approximation and Floquet theory, we theoretically investigate the terahertz photon-assisted transport through a ZnSe/Zn{sub 1−x}Mn{sub x}Se heterostructure under an external magnetic field, an electric field, and a spatially homogeneous oscillatory field. The results show that both amplitude and frequency of the oscillatory field can accurately manipulate the magnitude of the spin-dependent transmission probability and the positions of the Fano-type resonance due to photon absorption and emission processes. Transmission resonances can be enhanced to optimal resonances or drastically suppressed for spin-down electrons tunneling through the heterostructure and for spin-up ones tunneling through the same structure, resonances can also be enhanced or suppressed, but the intensity is less than the spin-down ones. Furthermore, it is important to note that transmission suppression can be clearly seen from both the spin-down component and the spin-up component of the current density at low magnetic field; at the larger magnetic field, however, the spin-down component is suppressed, and the spin-up component is enhanced. These interesting properties may provide an alternative method to develop multi-parameter modulation electron-polarized devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

Real-Time Series Resistance Monitoring in PV Systems Without the Need for I-V Curves

We apply the physical principles of a familiar method, suns-V oc , to a new application: the real-time detection of series resistance changes in modules and systems operating outside. The real-time series resistance (RTSR) method that we describe avoids the need for collecting I-V curves or constructing full series resistance-free I-V curves. RTSR is most readily deployable at the module level on microinverters or module-integrated electronics, but it can also be extended to full strings. We found that automated detection of series resistance increases can provide early warnings of some of the most common reliability issues, which also pose fire risks, including broken ribbons, broken solder bonds, and contact problems in the junction or combiner box. We also describe the method in detail and describe a sample application to data collected from modules operating in the field.

14 SOLAR ENERGY↗

DOE OSTI2024

Design and performance of a magnetic bottle electron spectrometer for high-energy photoelectron spectroscopy

We describe the design and performance of a magnetic bottle electron spectrometer (MBES) for high-energy electron spectroscopy. Our design features a 2 m long electron drift tube and electrostatic retardation lens, achieving sub-electronvolt (eV) electron kinetic energy resolution for high energy (several hundred eV) electrons with a close to 4π collection solid angle. A segmented anode electron detector enables the simultaneous collection of photoelectron spectra in high resolution and high collection efficiency modes. This versatile instrument is installed at the time-resolved molecular and optical sciences instrument at the Linac Coherent Light Source x-ray free-electron laser (XFEL). In this paper, we demonstrate its high resolution, collection efficiency, and spatial selectivity in measurements where it is coupled to an XFEL source. These combined characteristics are designed to enable high-resolution time-resolved measurements using x-ray photoelectron, absorption, and Auger–Meitner spectroscopy. We also describe the pervasive artifact in MBES time-of-flight spectra that arises from a periodic modulation in electron collection efficiency and present a robust analysis procedure for its removal.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2016

Two dimensional WS{sub 2} lateral heterojunctions by strain modulation

“Strain engineering” has been widely used to tailor the physical properties of layered materials, like graphene, black phosphorus, and transition-metal dichalcogenides. Here, we exploit thermal strain engineering to construct two dimensional (2D) WS{sub 2} in-plane heterojunctions. Kelvin probe force microscopy is used to investigate the surface potentials and work functions of few-layer WS{sub 2} flakes, which are grown on SiO{sub 2}/Si substrates by chemical vapor deposition, followed by a fast cooling process. In the interior regions of strained WS{sub 2} flakes, work functions are found to be much larger than that of the unstrained regions. The difference in work functions, together with the variation of band gaps, endows the formation of heterojunctions in the boundaries between inner and outer domains of WS{sub 2} flakes. This result reveals that the existence of strain offers a unique opportunity to modulate the electronic properties of 2D materials and construct 2D lateral heterojunctions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

PBE–DFT theoretical study of organic photovoltaic materials based on thiophene with 1D and 2D periodic boundary conditions

Conjugated organic systems such as thiophene are interesting topics in the field of organic solar cells. We theoretically investigate π-conjugated polymers constituted by n units (n = 1–11) based on the thiophene (Tn) molecule. The computations of the geometries and electronic structures of these compounds are performed using the density functional theory (DFT) at the 6–31 G(d, p) level of theory and the Perdew–Burke–Eenzerhof (PBE) formulation of the generalized gradient approximation with periodic boundary conditions (PBCs) in one (1D) and two (2D) dimensions. Moreover, the electronic properties (HOCO, LUCO, E{sub gap}, V{sub oc}, and V{sub bi}) are determined from 1D and 2D PBC to understand the effect of the number of rings in polythiophene. The absorption properties—excitation energies (E{sub ex}), the maximal absorption wavelength (λ{sub max}), oscillator strengths, and light harvesting—efficiency are studied using the time-dependent DFT method. Our studies show that changing the number of thiophene units can effectively modulate the electronic and optical properties. On the other hand, our work demonstrates the efficiency of theoretical calculation in the PBCs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1994

Flexible manufacturing for photonics device assembly

The assembly of photonics devices such as laser diodes, optical modulators, and opto-electronics multi-chip modules (OEMCM), usually requires the placement of micron size devices such as laser diodes, and sub-micron precision attachment between optical fibers and diodes or waveguide modulators (usually referred to as pigtailing). This is a very labor intensive process. Studies done by the opto-electronics (OE) industry have shown that 95 percent of the cost of a pigtailed photonic device is due to the use of manual alignment and bonding techniques, which is the current practice in industry. At Lawrence Livermore National Laboratory, we are working to reduce the cost of packaging OE devices through the use of automation. Our efforts are concentrated on several areas that are directly related to an automated process. This paper will focus on our progress in two of those areas, in particular, an automated fiber pigtailing machine and silicon micro-technology compatible with an automated process.

Lu, Shin-Yee↗

DOE OSTI2016

SU-F-T-27: A Comparative Case Study Among Four Modalities for the Superficial Treatment of Squamous Cell Carcinoma

Purpose: We performed a comparative planning study among High Dose Rate (HDR) brachytherapy, superficial electrons, Volume Modulated Arc Therapy (VMAT), and Helical IMRT (Tomotherapy) for squamous cell carcinoma of the abdominal wall with consideration for the underlining bowel. Methods: A 69-year old female presented with squamous cell carcinoma protruding 8mm beyond the anterior skin surface of the midabdomen was considered for treatment. The patient had a ventral hernia which resulted in the reduction of the abdominal wall thickness and the adjacent small bowel being the dose limiting structure. Four plans were generated using different treatment modalities: a) an enface electron field (eMC, Eclipse v. 11), b) Tomotherapy (HI-Art II v.5.0.5), c) VMAT (Acuros, Eclipse v. 11), and d) HDR using a Freiburg applicator (Oncentra v. 4.3). The following plan objectives were used for all four plans: for the CTV target, V90% ≥90% (61.8Gy2/2).For the small bowel, D0.1cc < 56.2 Gy2/2 was a hard constraint and expressed as a percentage of the prescription for comparison to demonstrate the dose fall-off achieved among the modalities.For HDR, V200% <0.1cc was an additional constraint. Multiple dosimetric parameters, including those listed above, were compared among the four modalities. Results: The HDR plan showed comparable target coverage compared to the Tomotherapy plan and better coverage compared to the electron plan. Small bowel doses (D0.1cc) were lower in HDR plan compared to Tomotherapy, electron, & VMAT plans (88.8%, 89.6%, 90.9%, & 96.6%). Integral dose to the whole body (V5%) was much higher for HDR, VMAT, and Tomotherapy when compared to electron plan by factors of seven, eight, and ten, respectively. After reviewing all treatment modalities, the physician selected HDR owing to better control of the small bowel dose while maintaining adequate target coverage. Conclusion: This case study demonstrated HDR can successfully treat superficial lesions with superior sparing of underlying structures.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2019

Metallopolymerization as a Strategy to Translate Ligand-Modulated Chemoselectivity to Porous Catalysts

Porous catalysts have garnered substantial interest as potential platforms for group-transfer catalysis due to the ability to noncovalently colocalize substrates in proximity to site-isolated reactive intermediates. In contrast to soluble molecular catalysts, the limited synthetic toolbox available to prepare porous catalysts presents a formidable challenge to controlling the primary coordination sphere of lattice-confined catalysts and thus modulating the electronic structures of reactive catalyst intermediates. Here, we utilize Sonogashira cross-coupling chemistry to prepare a family of porous metallopolymers in the primary coordination sphere of Ru 2 sites. The newly synthesized materials are characterized by IR, elemental analysis, gas sorption, powder X-ray diffraction, thermogravimetric analysis, X-ray absorption spectroscopy, and diffuse-reflectance UV–vis-NIR spectroscopy. The resulting porous materials are catalysts for nitrene-transfer chemistry, and the chemoselectivity for allylic amination versus olefin aziridination can be tuned by modulating the primary coordination sphere of the catalyst sites. Furthermore, the demonstration of metallopolymerization as a rational synthetic strategy enables ligand-modulated chemoselectivity to be achieved with porous catalysts and represents a new opportunity to tailor the functionality of heterogeneous catalyst materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

System-on-chip approach microwave imaging reflectometer on DIII-D tokamak

System-on-chip millimeter wave integrated circuit technology is used on the two-dimensional millimeter-wave imaging reflectometer (MIR) upgrade for density fluctuation imaging on the DIII-D tokamak fusion plasma. Customized CMOS chips have been successfully developed for the transmitter module and receiver module array, covering the 55–75 GHz working band. The transmitter module has the capability of simultaneously launching eight tunable probe frequencies (>0 dBm output power each). The receiver enclosure contains 12 receiver modules in two vertical lines. The quasi-optical local oscillator coupling of previous MIR systems has been replaced with an internal active frequency multiplier chain for improved local oscillator power delivery and flexible installation in a narrow space together with improved shielding against electromagnetic interference. The 55–75 GHz low noise amplifier, used between the receiver antenna and the first-stage mixer, significantly improves module sensitivity and suppresses electronics noise. The receiver module has a 20 dB gain improvement compared with the mini-lens approach and better than –75 dBm sensitivity, and its electronics noise temperature has been reduced from 55 000 K down to 11 200 K. Further, the V-band MIR system is developed for co-located multi-field investigation of MHD-scale fluctuations in the pedestal region with W-band electron cyclotron emission imaging on DIII-D tokamak.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2014

Developing a narrow-line laser spectrometer based on a tunable continuous-wave dye laser

We present the development of a dye-laser-based spectrometer operating at 550–600 nm. The spectrometer will be used to detect an ultra-narrow clock transition ({sup 1}S{sub 0}-{sup 3}P{sub 0}) in an Ytterbium optical lattice clock and perform high-resolution spectroscopy of iodine molecules trapped in the sub-nanometer channels of zeolite crystal (AlPO{sub 4}-11). Two-stage Pound-Drever-Hall frequency stabilization is implemented on the tunable continuous-wave dye laser to obtain a reliable operation and provide stable laser radiations with two different spectral linewidths. In the first-stage frequency locking, a compact home-built intracavity electro-optic modulator is adopted for suppressing fast frequency noise. With an acquisition time of 0.1 s the 670-kHz linewidth of the free-running dye laser is reduced to 2 kHz when locked to a pre-stabilization optical cavity with a finesse of 1170. When the pre-stabilized laser is locked to a high-finesse optical cavity, a linewidth of 1.4 Hz (2 s) is observed and the frequency stability is 3.7 × 10{sup −15} (3 s). We also measure and analyze the individual noise contributions such as those from residual amplitude modulation and electronic noise. The ongoing upgrades include improving long-term frequency stability at time scales from 10 to 100 s and implementing continuous frequency scan across 10 GHz with radio-frequency precision.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗