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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 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Influence of Atomic Layer Deposition Temperatures on TiO2/n-Si MOS Capacitor

This paper reports on the influence of temperature on the structure, composition, and electrical properties of TiO2 thin films deposited on n-type silicon (100) by atomic layer deposition (ALD). TiO2 layers around 20nm thick, deposited at temperatures ranging from 100 to 300 C, were studied. Samples deposited at 250 C and 200 C had the most uniform coverage as determined by atomic force microscopy. The average carbon concentration throughout the oxide layer and at the TiO2/Si interface was lowest at 200 C. Metal oxide semiconductor capacitors (MOSCAPs) were fabricated, and profiled by capacitance-voltage techniques. Negligible hysteresis was observed from a capacitance-voltage plot and the capacitance in the accumulation region was constant for the sample prepared at a 200 C ALD growth temperature. The interface trap density was on the order of 1013 eV-1cm-2 regardless of the deposition temperature.

ALD↗
DOE OSTI2013

A Semi-Empirical Two Step Carbon Corrosion Reaction Model in PEM Fuel Cells

The cathode CL of a polymer electrolyte membrane fuel cell (PEMFC) was exposed to high potentials, 1.0 to 1.4 V versus a reversible hydrogen electrode (RHE), that are typically encountered during start up/shut down operation. While both platinum dissolution and carbon corrosion occurred, the carbon corrosion effects were isolated and modeled. The presented model separates the carbon corrosion process into two reaction steps; (1) oxidation of the carbon surface to carbon-oxygen groups, and (2) further corrosion of the oxidized surface to carbon dioxide/monoxide. To oxidize and corrode the cathode catalyst carbon support, the CL was subjected to an accelerated stress test cycled the potential from 0.6 VRHE to an upper potential limit (UPL) ranging from 0.9 to 1.4 VRHE at varying dwell times. The reaction rate constants and specific capacitances of carbon and platinum were fitted by evaluating the double layer capacitance (Cdl) trends. Carbon surface oxidation increased the Cdl due to increased specific capacitance for carbon surfaces with carbon-oxygen groups, while the second corrosion reaction decreased the Cdl due to loss of the overall carbon surface area. The first oxidation step differed between carbon types, while both reaction rate constants were found to have a dependency on UPL, temperature, and gas relative humidity.

08 HYDROGEN↗
DOE OSTI2015

Ion Distributions at Electrified Water-Organic Interfaces: PB-PMF Calculations and Impedance Spectroscopy Measurements

The interface between two immiscible electrolyte solutions consisting of alkali chlorides in water and the organic electrolyte BTPPATPFB in 1,2-dichloroethane is characterized with X-ray reflectivity, interfacial tension and impedance spectroscopy measurements over a range of applied voltage between the bulk solutions. X-ray reflectivity probes the interfacial ion distribution on the sub-nanometer length scale, whereas interfacial tension and impedance spectroscopy characterize quantities such as interfacial excess charge and differential capacitance that represent integrations over the interfacial ion distribution. Predictions of interfacial ion distributions by the recently introduced PB-PMF method, which combines Poisson's equation with ion potentials of mean force, provide excellent agreement, within one to two experimental standard deviations, with both X-ray reflectivity and interfacial tension measurements. However, the agreement with the differential capacitance measured by impedance spectroscopy, and modeled by the Randles equivalent circuit, is not as good. Values of measured and calculated differential capacitance can deviate by as much as 20% for applied electric potential differences larger than approximately ±100 mV. These comparisons indicate that our understanding of the ion distributions that underlie these measurements is adequate, but that further understanding of the modeling of impedance spectroscopy data is required for quantitative agreement at larger applied electric potential differences.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Porous Carbon/CeO2 Nanoparticles Hybrid Material for High-Capacity Super-Capacitors

The increasing demand for energy storage devices has propelled research for developing efficient supercapacitors (SC) with long cycle life and ultrahigh energy density. Carbon-based materials are commonly used as electrode materials for SC. Herein, we report a new approach to improve the SC performance utilizing a Porous Carbon/Cerium Oxide nanoparticle (PC-CON) hybrid as electrode material synthesized via a low temperature hydrothermal method. Through this approach, charges can be stored not only via electrochemical double layer capacitance (EDLC) from PC but also through pseudo-capacitive effect from CeO2 nanoparticles (NPs). The electrode-electrolyte interaction due to the electrochemical properties of the electrolyte provides a enhanced voltage window for the SC. Scanning Electron Microscopy (SEM), Transmission Electron Microscopy (TEM), X-ray Photoelectron Spectroscopy (XPS), and X-Ray Diffraction (XRD) measurements were used for the characterization of this PC/CeO2 hybrid material system. The testing results have shown that a maximum of 500% higher specific capacitance could be obtained using PC/CeO2 instead of using PC only.

Kim, Hoejin↗
DOE OSTI2013

QCAD Simulation and Optimization of Semiconductor Double Quantum Dots

We present the Quantum Computer Aided Design (QCAD) simulator that targets modeling quantum devices, particularly silicon double quantum dots (DQDs) developed for quantum qubits. The simulator has three differentiating features: (i) its core contains nonlinear Poisson, effective mass Schrodinger, and Configuration Interaction solvers that have massively parallel capability for high simulation throughput, and can be run individually or combined self-consistently for 1D/2D/3D quantum devices; (ii) the core solvers show superior convergence even at near-zero-Kelvin temperatures, which is critical for modeling quantum computing devices; (iii) it couples with an optimization engine Dakota that enables optimization of gate voltages in DQDs for multiple desired targets. The Poisson solver includes MaxwellBoltzmann and Fermi-Dirac statistics, supports Dirichlet, Neumann, interface charge, and Robin boundary conditions, and includes the effect of dopant incomplete ionization. The solver has shown robust nonlinear convergence even in the milli-Kelvin temperature range, and has been extensively used to quickly obtain the semiclassical electrostatic potential in DQD devices. The self-consistent Schrodinger-Poisson solver has achieved robust and monotonic convergence behavior for 1D/2D/3D quantum devices at very low temperatures by using a predictor-correct iteration scheme. The QCAD simulator enables the calculation of dot-to-gate capacitances, and comparison with experiment and between solvers. It is observed that computed capacitances are in the right ballpark when compared to experiment, and quantum confinement increases capacitance when the number of electrons is fixed in a quantum dot. In addition, the coupling of QCAD with Dakota allows to rapidly identify which device layouts are more likely leading to few-electron quantum dots. Very efficient QCAD simulations on a large number of fabricated and proposed Si DQDs have made it possible to provide fast feedback for design comparison and optimization.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2019

Measurements of the Dielectric Properties of Thin High-Explosive Samples Using a Parallel Plate Test Fixture

This report presents results of a study of the dielectric properties of several high explosive materials, including Composition B, C-4, Detasheet, Semtex 1A, Semtex 1H, and Semtex 10. The capacitance and dispersion of samples up to ten mm thick were measured at 24 and 65°C using a parallel plate test fixture. In this configuration, capacitance is proportional to the real component of the complex dielectric constant (or permittivity) of the material, while the dispersion is equal to the imaginary component of the dielectric constant divided by the real component. Measurements were performed at two temperatures to determine whether these dielectric properties might be used to monitor moderate temperature changes within these materials using an external fringing field capacitor. It was found that the real dielectric constant of the high explosives generally changed by only about 1% on heating from 24 to 65°C, and that the externally measured capacitance is therefore not a reliable parameter for monitoring temperature changes in these explosives. Temperature- based changes in the dispersion were often 20% or greater, and for several materials (e.g., Composition B, Detasheet) the temperature and dispersion showed good correlation as the temperature of the explosive was cycled up and down. It is thus possible that for some high explosives the externally measured dispersion is a useful parameter for monitoring temperature changes. However, other factors may limit the usefulness of this technique, including the need to have the plates of a fringing field capacitor in direct contact with the high explosive to obtain measurements, and the limited penetration depth of the fringing field into the explosive material.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Carbon Electrodes from Powder River Basin Coal Development of Competitive Supercapacitor Electrodes of Diverse Compositions from Coal Extract

Recent demand for coal as a thermal energy source has decreased significantly and will likely continue to decrease as renewable sources of energy become more available and environmental concern and cost from burning coal makes it more costly than renewables. Given that Powder River Basin (PRB) coal in Wyoming has relatively low thermal energy, it is critical for Wyoming to employ coal in other capacities at the current energy transition period in history. Among many potential non-thermal applications, PRB coal can be utilized for membrane and electrode applications through the formation of carbon fibers. Coal-derived membranes can become low-cost, conductive membranes for use in electrodialysis separation processes. Carbon fiber derived electrodes have been shown be a cost-effective alternative to typical electrode materials that can meet or exceed the performance of current carbon electrode materials. In this talk, we demonstrate the manufacture of supercapacitor electrodes from Powder River Basin (PRB) coal-derived precursors. Specifically, PRB coal was treated in cheap solvents, partitioned into liquid extract and solid residue. An electropinning process has been developed that can convert either the liquid extract or the solid residue into carbon fiber mats. The electrospinning process is versatile with many tunable process parameters to achieve desirable physiochemical properties. For example, the coal residue can be manipulated by additional heat treatment, or by adding binders, salts, or surfactants to create a solution that can be electrospun into advanced carbon electrodes with desirable structural and surface properties. Similarly, some of the liquid extract (tar fraction) can be subsequently reacted with toluene diisocyanate to create resinous coal-derived polyurethane (PUs) as a spinnable ink. Carbon nanofiber mats made from our proprietary electrospinning process were further carbonized at temperature ranging from 700°C to 900°C before they are used as electrodes in supercapacitors. Galvanostatic charge-discharge (GCD) results show that the best performing PU fiber mats can deliver a specific capacitance of 604 F g -1 at the current density of 1 A g -1 . A carbon fiber mat from a different solvent extraction residue also delivered the specific capacitance of 508 F g -1 . These specific capacitance values are comparable to or better than commercial activated carbons, demonstrating the viability of manufacturing carbon nanofiber electrodes from coal without the use of a commercial polymer as binder in the spinning ink.

Cincotta, Robert↗
DOE OSTI2023

Photon-to-Digital Converters for Neutron Imaging Instruments (Final Report)

Oak Ridge National Laboratory (ORNL) collaborated with the Université de Sherbrooke (UdeS) to design a modular and scalable tile of innovative digital photodetectors called Photon-to-Digital Converters (PDC) and the required subsystems to demonstrate the feasibility of large area single-photon detectors to support high-resolution, depth-of-interaction, fast neutron radiography based on scintillation detectors. The goal is to demonstrate the advantages of using PDC over conventional Silicon Photomultiplier (SiPM) for neutron imaging systems. The basic building blocks of analog SiPM and PDC are Single-Photon Avalanche Photodiodes (SPAD). The main difference between conventional SiPMs and PDCs, is in the fact that analog SiPMs sum the charge produced by individual SPAD passively, while in PDCs each SPAD is read out individually by an active electronic circuit. Hence, PDCs provide a direct photon-to-bit conversion where a logic “1” means that there was a detection in a given SPAD. Conversely, an analog SiPM requires a sophisticated preamplifier (current amplifiers or transimpedance amplifier) followed by a shaping amplifier and an analog-to-digital converter. Moreover, since the charge from each SPAD varies slightly, the passive sum of the analog SiPM will have signal fluctuations for the same amount of photon detected. This is one of many issues that is completely eliminated by individual one-to-one SPAD read out in PDCs. The large area required for scintillator readouts for neutron imaging is such that the output capacitance of a large area of SiPM arrays is very high. This creates a burden on the signal-to-noise optimization with respect to the power budget. For PDC, the power consumption is dictated by rate of the incident photon flux, or in photon-starved environments, the dark noise rate of the SPAD array. In other words, the power consumption in the absence of events is extremely low. Hence, the power consumption of a PDC read out system is much lower than its analog counterpart. Further, the large SiPM capacitance may introduce signal distortions on the scintillator fast rise or decay time with undesired effects on timing and pulse shape discrimination. The problem is absent in PDCs, as their readout is independent on device capacitance. UdeS is the world leader in 3D vertical integration of frontside illuminated SPAD arrays over CMOS readouts. These capabilities allow future production of “3D PDC” with maximum photosensitive fill factor and electronic functionalities tailored to the application. UdeS' vast knowledge of SPADs and CMOS design made the team an ideal collaborator in the development of large area high-resolution fast neutron radiography.

42 ENGINEERING↗
DOE OSTI2024

Upcycling Linear Low-Density Polyethylene Waste into Graphene for High Mass Loading Supercapacitors

Polyethylene is notoriously difficult to upcycle because it decomposes into light gases at approximately 350-400 °C which prevents processing it at higher temperatures to convert it into electrode materials. We address this challenge by using an air-based, thermos-oxidative process, which heats linear low-density polyethylene (LLDPE) just below the decomposition point to initiate oxidation and cross-linking of LLDPE alkyl chains. These molecular transformations allow LLDPE to be graphenized at 950 °C without decomposing. The LLDPE-derived graphene (LLDPE-G) has a BET specific surface area up to 1,800 m2/g and Raman ID/IG ratio of 0.85. When used as electrode material for a symmetric supercapacitor with the 1 M H2SO4 electrolyte, LLDPE-G possesses an specific capacitance up to 175 F/g at mass loading of 20 mg/cm2, yielding an areal capacitance of 3.5 F/cm2. The cycling stability with capacitance demonstrates a retention of 95.8% after 100,000 cycles at high current density of 4.0 A/g.

Gao, Yuan↗
DOE OSTI2024

Upcycling Linear Low-Density Polyethylene Waste into Graphene for High Mass Loading Supercapacitors

Upcycling plastic into advanced carbons, such as graphene and porous carbon, offers attractive options to manage waste streams by converting the plastic into carbon electrode materials for energy storage devices. Linear low density polyethylene (LLDPE) is firstly bulk-oxidized with a facile and scalable method and then carbonized and catalyticlly graphenized into porous graphene materials. The LLDPE derived graphene (LLDPE-G) has a BET specific surface area up to 1800 m2/g and Raman ID/IG ratio of 0.85. When used as electrode material for symmetric supercapacitor, LLDPE-G possesses outstanding specific capacitance and excellent areal capacitance. Moreover, LLDPE-G exhibits exceptional cycling stability with capacitance retention of 95.8% after 100,000 cycles. Last but not least, KCl is recycled and reused over 3 cycles with material quality and electrocapacitive performance of LLDPE-G retained and verified after each cycle.

Gao, Yuan↗
DOE OSTI2024

Upcycling Low Linear Density Polyethylene Waste into Turbostratic Graphene for High Mass Loading Supercapacitors

In this work, LLDPE was upcycled into a high quality turbostratic graphene using a pre-treatment step to oxidatively crosslink the polymer with the assistance of solid additives (KCl and K2CO3) that improve crosslinking by increasing the effective surface area of the polymer melt during processing. After this pretreatment step, the crosslinked polymer could then be carbonized and catalytically graphenized between 400-950 °C without complete decomposition of the material. The LLDPE derived graphene (LLDPE-G) obtained from this process has a Brunauer–Emmett–Teller (BET) specific surface area, up to 1800 m2g-1 and average Raman ID/IG and I2D/IG ratios of 0.85 and 0.57, respectively, indicating high quality graphene. When used as an electrode material in symmetric supercapacitors, LLDPE-G possesses an outstanding specific capacitance up to 175 Fg-1 at a mass loading of 20 mgcm-2, which is two times the commercial requirement, yielding an excellent areal capacitance of 3.5 Fcm-2. Moreover, LLDPE-G exhibits exceptional cycling stability with a capacitance retention of 95.8% after 100,000 cycles at a current density of 4.0 Ag-1. Additionally, the KCl and K2CO3 were recycled and reused over 3 complete cycles to make new LLDPE-G with the material quality and electrocapacitive performance retained and verified after each cycle. Our approach creates new opportunities for upcycling not only waste LLDPE but also other varieties of PE to high value graphene materials.

Gao, Yuan [NETL Site Support Contractor, National ↗
DOE OSTI2026

Evaluation of Three Types of Electric Field Sensors

On June 3-4, 2025, we evaluated three types of electric-field (E-field) sensors: capacitive electrodes, stainless-steel stakes, and porous pots - at two electromagnetic (EM) stations (PWBVI and PWAOF) on Aqueduct Mesa at the Nevada National Security Site. We compared calibrated time series and derived metrics including power spectral density, root-mean-square (RMS) amplitude, signal-to-noise ratio (SNR), and detectability of power line harmonics and Schumann resonance. The objective was to identify an alternative E field sensor with higher SNR than the existing capacitive electrodes. Our data demonstrates that stainless-steel electrodes perform best, with the highest SNR and the most consistent detection of power-line harmonics and Schumann resonance among the three sensor types; they may be used as a supplement to, or replacement for, the existing capacitive electrodes.

58 GEOSCIENCES↗
DOE OSTI2023

A review of transport models in charged porous electrodes

There is increased interest in many different processes based upon interactions between a charged solid surface and a liquid electrolyte. Energy storage in capacitive porous materials, ionic membranes, capacitive deionization (CDI) for water desalination, capacitive energy generation, removal of heavy ions from wastewater streams, and geophysical applications are some examples of these processes. Process development is driven by the production of porous materials with increasing surface area. Understanding of the physical phenomena occurring at the charged solid-electrolyte interface will significantly improve the design and development of more effective applied processes. The goal of this work is to critically review the current knowledge in the field. The focus is on concepts behind different models. We start by briefly presenting the classical electrical double layer (EDL) models in flat surfaces. Then, we discuss models for porous materials containing macro-, meso-, and micro-pores. Some of the current models for systems comprising two different pore sizes are also included. Finally, we discuss the concepts behind the most common models used for ionic transport and Faradaic processes in porous media. The latter models are used for simulation of electrosorption processes in porous media.

42 ENGINEERING↗
DOE OSTI2018

One- and Two-Equation Models to Simulate Ion Transport in Charged Porous Electrodes

Energy storage in porous capacitor materials, capacitive deionization (CDI) for water desalination, capacitive energy generation, geophysical applications, and removal of heavy ions from wastewater streams are some examples of processes where understanding of ionic transport processes in charged porous media is very important. In this work, one- and two-equation models are derived to simulate ionic transport processes in heterogeneous porous media comprising two different pore sizes. It is based on a theory for capacitive charging by ideally polarizable porous electrodes without Faradaic reactions or specific adsorption of ions. A two-step volume averaging technique is used to derive the averaged transport equations for multi-ionic systems without any further assumptions, such as thin electrical double layers or Donnan equilibrium. A comparison between both models is presented. The effective transport parameters for isotropic porous media are calculated by solving the corresponding closure problems. An approximate analytical procedure is proposed to solve the closure problems. Numerical and theoretical calculations show that the approximate analytical procedure yields adequate solutions. Lastly, a theoretical analysis shows that the value of interphase pseudo-transport coefficients determines which model to use.

25 ENERGY STORAGE↗
DOE OSTI2023

A Threshold Helium Leakage Detection Switch with Ultra Low Power Operation

Detecting helium leakage is important in many applications, such as in dry cask nuclear waste storage systems. This work develops a helium detection system based on the relative permittivity (dielectric constant) difference between air and helium. This difference changes the status of an electrostatic microelectromechanical system (MEMS) switch. The switch is a capacitive-based device and requires a very negligible amount of power. Exciting the switch’s electrical resonance enhances the MEMS switch sensitivity to detect low helium concentration. This work simulates two different MEMS switch configurations: a cantilever-based MEMS modeled as a single-degree-freedom model and a clamped-clamped beam MEMS molded using the COMSOL Multiphysics finite-element software. While both configurations demonstrate the switch’s simple operation concept, the clamped-clamped beam was selected for detailed parametric characterization due to its comprehensive modeling approach. The beam detects at least 5% helium concentration levels when excited at 3.8 MHz, near electrical resonance. The switch performance decreases at lower excitation frequencies or increases the circuit resistance. The MEMS sensor detection level was relatively immune to beam thickness and parasitic capacitance changes. However, higher parasitic capacitance increases the switch’s susceptibility to errors, fluctuations, and uncertainties.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

Characterization of dielectric materials

A system and a method for characterizing a dielectric material are provided. The system and method generally include applying an excitation signal to electrodes on opposing sides of the dielectric material to evaluate a property of the dielectric material. The method can further include measuring the capacitive impedance across the dielectric material, and determining a variation in the capacitive impedance with respect to either or both of a time domain and a frequency domain. The measured property can include pore size and surface imperfections. The method can still further include modifying a processing parameter as the dielectric material is formed in response to the detected variations in the capacitive impedance, which can correspond to a non-uniformity in the dielectric material.

36 MATERIALS SCIENCE↗
DOE OSTI2018

A simplified regression building thermal modelling method for detached two-floor house in U.S.

The residential building sector accounts for approximately 37% of total U.S. electricity consumption. Within the residential building sector, heating and cooling is the main target for peak load shifting/reduction since it is the largest contributor to peak demand. In fact, the flexibility of residential HVAC loads can provide continuous variation of demand to provide grid services by varying their demand over a baseline. The performance of HVAC load control to provide grid services relies heavily on the accuracy of indoor air temperature or cooling/heating demand predictions and therefore the quality of building model. Besides forward models, popular building models are data-driven models which can be broken down into two categories: gray-box model, e.g. Resistance-Capacitance (RC) model and black-box model. RC model, also called lumped capacitance or network model, which is constituted with electrical analogue pattern with resistance (R) and capacitance (C). In general, RC models require considerable computation burden and long periods of data to train limited number of model coefficients. Black-box models have gained increasing interest due to their capability in analyzing large-scale data and flexibility in practical applications. But, the data-mining based (machine learning algorithms/techniques based) models tend to have invisible model structures which poses a problem when trying to use the model for optimal control or model predictive control of the HVAC system. Hence, there is a continuing need for efficient online system identification techniques, which can provide explicit parameters for the model. Traditional regression models fit well for this specific purpose. This paper presents an innovative way to predict average indoor temperature in separate floors of typical detached residential house. A rolling horizon linear regression model, which includes online adaptive correction component, is proposed to predict the temperature difference between downstairs and upstairs. A RC model is used to predict the overall mean indoor air temperature. Since the adaptive algorithm needs to be implemented online, a less computation-demanding polynomial fitting algorithm is adopted. This kind of fitting problem can be cast as linear regression problem with multiple variables, parameters of which can be efficiently obtained by well-known gradient descent method.The validation is conducted by comparing the predicted results with the results from data-mining based models as well as measured data from a real typical detached two-floor house. The results show that the developed method has satisfactory performance in predicting the building indoor temperature in 1st and 2nd floors.

Cui, Borui↗
DOE OSTI2019

Piezoelectric transmitter

A piezoelectric dipole transmitter is provided that includes a piezoelectric element, an insulating support disposed at a midpoint of said piezoelectric element, or along the piezoelectric element, an external capacitance driver, and an external modulation capacitance disposed proximal to a first end of the piezoelectric element, where the driver capacitance is driven by a signal appropriate to excite a length-extensional acoustic mode of the piezoelectric element, where the piezoelectric element resonates at a piezoelectric element resonance frequency to radiate energy as an electric dipole.

Kemp, Mark A.↗