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At least 559 records · Page 31

Influence of solvents on electrochemical stability window of ionic liquid solutions

The electrochemical stability window (ESW) defines the voltage range within which an electrolyte remains stable against oxidation and reduction, serving as a key descriptor for ionic liquid (IL)-based systems. The ESWs of 15 ILs with diverse cation-anion combinations were systematically investigated, both in their neat forms and as binary mixtures with three representative solvents, i.e., propylene carbonate (PC), ethylene glycol (EG), and tetrahydrofuran (THF). Cyclic voltammetry on a glassy carbon electrode determined anodic and cathodic stability limits, revealing that ESW protection in IL-solvent mixtures strongly depends on solvent polarity, proticity, and IL compatibility. PC, with a high dielectric constant and aprotic character, broadened anodic limits and moderately stabilized cathodic limits. THF maintained compact interfacial structure, offering additional cathodic protection, whereas EG, being protic, reduced ESWs via proton-coupled electron transfer and hydrogen evolution. The solvent protection trend followed by PC > THF > EG, with bulky, hydrophobic cations ([HMIM] + , [BMPYRR] + ) and weakly coordinating anions ([NTF 2 ] - , [DCA] - , [DEP] - ) showing the highest ESW protection for 50 mol% IL in these solvents. Among the neat ILs, [EMIM][DEP], [HMIM][PF 6 ], and [BMPYRR][DCA] showed wide ESWs of ∼5.5 V. These results provide valuable insight into solvent-modulated electrochemical stability, enabling rational design of IL-based electrolytes for energy storage and electrosynthesis.

25 ENERGY STORAGE↗

Electrochromic Properties of Perovskite NdNiO 3 Thin Films for Smart Windows

Semiconductors with electrically tunable band gaps are of great interest in controlling transparency to electromagnetic radiation. Thin films of perovskite nickelate NdNiO 3 (NNO), a class of correlated oxides, were deposited on single-crystal (LaAlO 3 (LAO)) and polycrystalline (fluorine-doped tin oxide-coated glass (FTO)) substrates by magnetron sputtering, chemical solution deposition (CSD), and atomic layer deposition (ALD). Their electrochromic behaviors were investigated using a three-electrode setup in basic (KOH solution, pH = 12) electrolyte. During bleaching/coloration process, the proton intercalation/deintercalation and simultaneous electron compensation in the NNO lattice under electrical bias led to crossover of the material between the pristine-conducting phase (Ni 3+ ) and the strongly correlated insulating phase (Ni 2+ ), which serves as the working principle for electrochromic (tunable opacity in the visible range) behavior. Cyclic voltammetry (CV) scans demonstrate that NNO films are electrochemically stable in basic solutions for all three film deposition methods explored here. CV scans at varying rates enabled the extraction of diffusion coefficient of protons in thin film NNO, which is similar to 10 –7 cm 2 s –1 among all films studied. Large light transmittance modulation by bleaching and coloration was observed on films grown on both LAO and FTO substrates, suggesting its potential as an electrochromic material candidate for smart windows and optical shutter applications. Here, porous NNO films obtained by chemical solution deposition tend to demonstrate stronger electrochromic activity than dense films grown by sputtering or ALD.

36 MATERIALS SCIENCE↗

Symmetrical windowing for quantum states in quasi-classical trajectory simulations: Application to electronically non-adiabatic processes

A recently described symmetrical windowing methodology [S. J. Cotton and W. H. Miller, J. Phys. Chem. A 117, 7190 (2013)] for quasi-classical trajectory simulations is applied here to the Meyer-Miller [H.-D. Meyer and W. H. Miller, J. Chem. Phys. 70, 3214 (1979)] model for the electronic degrees of freedom in electronically non-adiabatic dynamics. Results generated using this classical approach are observed to be in very good agreement with accurate quantum mechanical results for a variety of test applications, including problems where coherence effects are significant such as the challenging asymmetric spin-boson system.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Laboratory-size three-dimensional water-window x-ray microscope with Wolter type I mirror optics

We constructed a laboratory-size three-dimensional water-window x-ray microscope that combines wide-field transmission x-ray microscopy with tomographic reconstruction techniques. It consists of an electron-impact x-ray source emitting oxygen Kα x-rays, Wolter type I grazing incidence mirror optics, and a back-illuminated CCD for x-ray imaging. A spatial resolution limit better than 1.0 line pairs per micrometer was obtained for two-dimensional transmission images, and 1-μm-scale three-dimensional fine structures were resolved.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

First-principles prediction of solar radiation shielding performance for transparent windows of GdB{sub 6}

The structural, electronic, magnetic, and optical properties of GdB{sub 6} are studied using the first-principles calculations. Calculated values for magnetic and optical properties and lattice constant are found to be consistent with previously reported experimental results. The calculated results show that GdB{sub 6} is a perfect near-infrared absorption/reflectance material that could serve as a solar radiation shielding material for windows with high visible light transmittance, similar to LaB{sub 6}, which is assigned to its plasma oscillation and a collective oscillation (volume plasmon) of carrier electrons. It was found that the magnetic 4f electrons of Gd are not relevant to the important optical properties of GdB{sub 6}. These theoretical studies serve as a reference for future studies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

CRDS with a VECSEL for broad-band high sensitivity spectroscopy in the 2.3 μm window

The integration of an industry ready packaged Sb-based Vertical-External-Cavity Surface-Emitting-Laser (VECSEL) into a Cavity Ring Down Spectrometer (CRDS) is presented. The instrument operates in the important 2.3 μm atmospheric transparency window and provides a high sensitivity (minimum detectable absorption of 9 × 10{sup −11} cm{sup −1}) over a wide spectra range. The VECSEL performances combine a large continuous tunability over 120 cm{sup −1} around 4300 cm{sup −1} together with a powerful (∼5 mW) TEM{sub 00} diffraction limited beam and linewidth at MHz level (for 1 ms of integration time). The achieved performances are illustrated by high sensitivity recordings of the very weak absorption spectrum of water vapor in the region. The developed method gives potential access to the 2-2.7 μm range for CRDS.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Resonance Scattering Treatment with the Windowed Multipole Formalism

A new method for directly sampling the resonance upscattering effect is presented. Alternatives have relied on inefficient rejection sampling techniques or large tabular storage of relative velocities. None of these approaches, which require pointwise energy data, are particularly well suited to the windowed multipole cross-section representation. The new method, called multipole analytic resonance scattering, overcomes these limitations by inverse transform sampling from the target relative velocity distribution where the cross section is expressed in the multipole formalism. The closed-form relative speed distribution contains a novel special function we deem the incomplete Faddeeva function, and we present the first results on its efficient numerical evaluation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Layered oxide, graphite and silicon-graphite electrodes for Lithium-ion cells: Effect of electrolyte composition and cycling windows

The electrochemical performance of cells with a Li 1.03 (Ni 0.5 Co 0.2 Mn 0.3 ) 0.97 O 2 (NCM523) positive electrode and a blended silicon-graphite (Si-Gr) negative electrode are investigated using various electrolyte compositions and voltage cycling windows. Voltage profiles of the blended Si-Gr electrode show a superposition of graphite potential plateaus on a sloped Si profile with a large potential hysteresis. The effect of this hysteresis is seen in the cell impedance versus voltage data, which are distinctly different for the charge and discharge cycles. We confirm that the addition of compounds, such as vinylene carbonate (VC) and fluoroethylene carbonate (FEC) to the baseline 1.2 M LiPF 6 in ethylene carbonate (EC): ethyl methyl carbonate (EMC) (3:7 w/w) electrolyte, improves cell capacity retention with higher retention seen at higher additive contents. We show that reducing the lower cutoff voltage (LCV) of full cells to 2.5 V increases the Si-Gr electrode potential to 1.12 V vs. Li/Li + ; this relatively-high delithiation potential correlates with the lower capacity retention displayed by the cell. Hence, we show that raising the upper cutoff voltage (UCV) can increase cell energy density without significantly altering capacity retention over 100 charge discharge cycles.

25 ENERGY STORAGE↗

Mickey Leland Energy Fellowship Report: Development of Advanced Window Coatings

Advanced fenestration technologies for light and thermal management in building applications are of great recent research interest for improvements in energy efficiency. Of these technologies, there is specific interest in advanced window coating technologies that have tailored control over the visible and infrared (IR) scattering into a room for both static and dynamic applications. Recently, PNNL has investigated novel subwavelength nanostructured coatings for both daylighting, and IR thermal management applications. Such coatings rese still in the early stages and additional research is needed in terms of scalable manufacturing. This project investigates aspects of a potential new methodology for low-cost scalable manufacture of said subwavelength coatings.

coating↗

Select Components and Finish System Design of a Window Air Conditioner with Propane

This report describes the technical targets for developing a high efficiency window air conditioner (WAC) using propane (R-290). The baseline unit selected for this activity is a GE R-410A WAC. We established collaboration with a Chinese rotary compressor manufacturer, to select an R-290 compressor. We first modelled and calibrated the WAC system model using R-410A. Next, we applied the calibrated system model to design the R-290 WAC, and decided the strategies to reduce the system charge below 260 grams and achieve the capacity and efficiency targets.

42 ENGINEERING↗

Mechanical Safety Subcommittee Guideline for Design of Thin Windows Regarding Roark’s Edge Condition Coefficient

An error was found in an edge stress coefficient used to calculate stresses in thin windows. This error is present in “Roark’s Formulas for Stress and Strain” 7th and 8th Edition. The 6th Edition is correct. This guideline specially discusses a major difference in regards to a coefficient used in calculating the edge stress in “Roark’s Formulas for Stress and Strain” 6th Edition compared to the 7th and 8th Editions. In Chapter 10: Flat Plates under “Circular plates under distributed load producing large deflections,” Case 3, which is “Fixed and held. Uniform pressure q over entire plate.” The coefficient for a fixed edge condition in the 6th Edition1 K4 = 0.476 while in the 7th and 8th Edition2, the coefficient is 1.73 which is significant difference.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Windows and Envelope R&D Opportunities Workshop

BTO's Emerging Technologies program held a two-day workshop on “Windows and Envelope R&D Opportunities” on May 31 and June 1, 2017 at the Illinois Institute of Technology in Chicago, Illinois. A broad range of about 100 experts from industry, academia, national laboratories, and government participated, contributing their ideas, insights, and perspectives. Their feedback is intended to help inform and augment BTO’s research and development activities.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Performance of Quantum Dot Coatings for Luminescent Solar Concentrating Windows: Cooperative Research and Development Final Report, CRADA Number CRD-16-00640

The two major outcomes from this DOE supported collaboration between UbiQD and NREL were: 1) an expert analysis/modeling of the expected performance and cost of luminescent solar concentrating windows with quantum dot coatings, and 2) critical R&D characterization of materials and device performance analysis using equipment and processes that are too expensive for UbiQD to perform in-house. The latter also included third-party validation of the device performance with an NREL-certified conversion efficiency that was ultimately published. (see ACS Energy Lett. 2018 and recently ACS Appl. Energy Mater. 2020).

14 SOLAR ENERGY↗

High-Performance Integrated Window and Façade Solutions for California

The researchers developed a new generation of high-performance façade systems and supporting design and management tools to support industry in meeting California’s greenhouse gas reduction targets, reduce energy consumption, and enable an adaptable response to minimize real-time demands on the electricity grid. The project resulted in five outcomes: (1) The research team developed an R-5, 1-inch thick, triplepane, insulating glass unit with a novel low-conductance aluminum frame. This technology can help significantly reduce residential cooling and heating loads, particularly during the evening. (2) The team developed a prototype of a windowintegrated local ventilation and energy recovery device that provides clean, dry fresh air through the façade with minimal energy requirements. (3) A daylight-redirecting louver system was prototyped to redirect sunlight 15–40 feet from the window. Simulations estimated that lighting energy use could be reduced by 35–54 percent without glare. (4) A control system incorporating physics-based equations and a mathematical solver was prototyped and field tested to demonstrate feasibility. Simulations estimated that total electricity costs could be reduced by 9-28 percent on sunny summer days through adaptive control of operable shading and daylighting components and the thermostat compared to state-of-the-art automatic façade controls in commercial building perimeter zones. (5) Supporting models and tools needed by industry for technology R&D and market transformation activities were validated. Attaining California’s clean energy goals require making a fundamental shift from today’s ad-hoc assemblages of static components to turnkey, intelligent, responsive, integrated building façade systems. These systems offered significant reductions in energy use, peak demand, and operating cost in California.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Dynamic Windows Using Reversible Metal Electrodeposition

The objective of the project is to design, fabricate, and optimize Reversible Metal Electrodeposition (RME) windows that simultaneously achieve color-neutral, fast, uniform switching over a wide dynamic range using low-cost, high-throughput materials and processes.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Semitransparent Sb 2 S 3 thin film solar cells by ultrasonic spray pyrolysis for use in solar windows

The integration of photovoltaic (PV) solar energy in zero-energy buildings requires durable and efficient solar windows composed of lightweight and semitransparent thin film solar cells. Inorganic materials with a high optical absorption coefficient, such as Sb 2 S 3 (>10 5 cm -1 at 450 nm), offer semitransparency, appreciable efficiency, and long-term durability at low cost. Oxide-free throughout the Sb 2 S 3 layer thickness, as confirmed by combined studies of energy dispersive X-ray spectroscopy and synchrotron soft X-ray emission spectroscopy, semitransparent Sb 2 S 3 thin films can be rapidly grown in air by the area-scalable ultrasonic spray pyrolysis method. Integrated into a ITO/TiO 2 /Sb 2 S 3 /P3HT/Au solar cell, a power conversion efficiency (PCE) of 5.5% at air mass 1.5 global (AM1.5G) is achieved, which is a record among spray-deposited Sb 2 S 3 solar cells. An average visible transparency (AVT) of 26% of the back-contact-less ITO/TiO 2 /Sb 2 S 3 solar cell stack in the wavelength range of 380–740 nm is attained by tuning the Sb 2 S 3 absorber thickness to 100 nm. In scale-up from mm 2 to cm 2 areas, the Sb 2 S 3 hybrid solar cells show a decrease in efficiency of only 3.2% for an 88 mm 2 Sb 2 S 3 solar cell, which retains 70% relative efficiency after one year of non-encapsulated storage. A cell with a PCE of 3.9% at 1 sun shows a PCE of 7.4% at 0.1 sun, attesting to the applicability of these solar cells for light harvesting under cloud cover.

36 MATERIALS SCIENCE↗