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DOE OSTI2022

Technical Program Plan for INL Advanced Reactor Technologies Advanced Gas Reactor Fuel Development and Qualification Program

High-temperature gas cooled reactors (HTGRs) are graphite moderated nuclear reactors cooled with helium. Their high outlet temperatures and thermal energy conversion efficiency enable efficient and cost effective integration with non electricity generating applications. These applications include process heat and hydrogen production for petrochemical and other industrial processes that require operating temperatures between 300 and 900°C. HTGRs will supplement the use of premium fossil fuels such as oil and natural gas, improve overall energy security in the United States by reducing dependence on foreign fuels, and reduce carbon dioxide (CO2)/greenhouse gas emissions. The HTGR design uses helium as a coolant, graphite as a neutron moderator, and ceramic particle fuel. Helium is chemically inert and neutronically transparent. The graphite core slows down the neutrons, retains its strength at high temperatures, provides structural stability, and acts as a substantial heat sink during transient conditions. The ceramic particle fuel is extremely robust and retains the radioactive by products of the fission reaction within the coated particle under normal and off normal conditions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

Field Study of Grid-connected Heat Pump Water Heaters in the Southeast U.S.: The Next Right Thing

The integration of grid-connected functionality and advanced control algorithms into heat pump water heaters (HPWH) offers the capability to shift load with minimal customer impact. This capability provides a flexible grid resource to utilities, while the increased energy efficiency of HPWHs offers customers a lower electric bill. The combined utility/customer value from grid-connected HPWHs is compelling in the Southeast U.S. where residential electric water heating is prevalent and utility load management is common. This paper presents the results of a HPWH load shifting study conducted in Central Florida using the CTA-2045 standard. Building upon previous research in the Pacific Northwest, this study consisted of approximately 45 occupied homes equipped with HPWHs undergoing load shifting strategies weekly for over a year. Curtailment durations ranged from three to five hours in the morning, and four to five hours in the evening to coincide with high-value periods for utility coincident load for system-wide electric demand reductions. During the morning and afternoon, a one- or two-hour load-up event preceded curtailment. Baseline data were collected across varied Florida weather in which no load shifting events were implemented. Results from traditional load shifting strategies were analyzed across seasons and used to devise unique load shifting approaches to increase renewable energy use during periods of high solar energy generation. Regional impacts are forecasted for large-scale implementation of strategies. Lessons learned and recommendations are also provided for how utilities, manufacturers, and regional planners can maximize load shifting benefits from grid-connected HPWHs.

Heat pump water heaters, residential building, loa↗

DOE OSTI2024

Pushing the Envelope-Moving Dynamic Building Envelope Thermal Energy Storage Systems Mainstream: Preprint

Buildings contribute to nearly 40% of the U.S. national energy consumption and a significant portion of CO2 emissions. More importantly, disadvantaged communities are disproportionately affected by energy burden and thermal discomfort in their homes. This paper will discuss two novel DOE's BTO supported thermal energy storage (TES) integrated dynamic building envelope technologies, their ability to harvest ambient energy, and improve energy efficiency by reducing HVAC loads and peak electricity demand while enhancing energy and thermal resilience in buildings. The paper will also discuss the recent advancements that have made these systems more affordable and easier to integrate into new and existing buildings. The first solution is a thermally anisotropic building envelope (TABE) system that can redirect ambient thermal energy (heat or coolness) from diurnal outdoor conditions, solar irradiance, and night sky radiation from the envelope to a hydronic loop. The redirected thermal energy can be stored in a TABE-integrated thermal energy storage system and use the stored energy to offset HVAC energy use and peak demand. The second solution is an innovative plug-and-play thermal switch in the form of insertable plugs integrated with a phase change material (PCM). The plug can vary its thermal resistance based on the indoor and outdoor conditions, thus allowing preferential directional heat flow, and enhancing utilization of free ambient cooling and heating to charge/discharge the PCM, much like a solid-state economizer. While the fist solution can be actively controlled, the second solution is passive, requiring no external power, and work solely based on the ambient temperature.

anisotropic envelope↗

DOE OSTI2024

Pushing the Envelope—Moving Dynamic Building Envelope Thermal Energy Storage Systems Mainstream

Shrestha, Som↗

DOE OSTI2025

Packaging a 650V/400A GaN Half-bridge Power Module with Ultra-low Parasitics for Electric Vehicle Drive Applications

This paper proposes a compact and efficient half-bridge power module with three 650 V / 150 A GaN dies in parallel. The power module incorporates a main power printed circuit board (PCB), an interface PCB, and a flex PCB to achieve low parasitics in both power loop and gate-side connection, resolving the issue of high parasitics typically encountered with wire bonding in high-current applications. Additionally, the interface PCB decouples the design constraints between the power loop and the gate loops. The proposed design is optimized with a vertical loop configuration to reduce power loop inductance through magnetic flux cancellation. Finite element analysis indicates that the power loop inductance is 0.58 nH at 100 MHz, while the maximum die junction temperature reaches 131 °C under an ambient temperature of 65 °C and a load current of 385 A. The proposed multi-piece PCB structure reduces the inductance of the drive circuit to minimize EMI and to mitigate false triggering. At the same time, it reduces impedance mismatches across different driver circuits, thereby achieving dynamic current sharing in multi-chip parallel configurations. Under simulation conditions of 400 V / 385 A, the current imbalance among chips was limited to 5 A. A 400 V / 385 A double-pulse test was conducted to experimentally validate the performance of the proposed power module.

30 DIRECT ENERGY CONVERSION↗

DOE OSTI2021

Quantization effects in semiconductor nanostructures and singlet fission in molecular chromophores for photovoltaics and solar fuels

Hot carriers in semiconductors are electrons and/or holes that have energies greater than carriers that reside at the top and bottom of the conduction and valence bands, respectively; the latter carriers are in equilibrium with the lattice and have a temperature equal to the lattice (ambient) temperature. Hot carriers are created in semiconductors upon the absorption of photons with energies greater than the bandgap. The excess energy above the bandgap energy is in the form of kinetic energy. The hot carriers can cool to the lattice temperature via electron–phonon scattering and establish separate Boltzmann distributions for electrons and holes at the band edges. Thus, upon cooling, the excess kinetic energy of the hot carriers is transformed into heat and is unavailable to be converted into electrical or chemical free energy in a solar photon-converting cell. This hot-carrier cooling process significantly limits the maximum possible power conversion efficiency (PCE) of the free energy of solar photons into electrical free energy or chemical free energy in chemical bonds of fuels. However, if hot-carrier cooling can be slowed such that the hot carriers can be extracted before cooling to create higher photovoltages, or utilized to create additional electron-hole pairs through carrier multiplication, then beneficial use can be made of the excess energy of hot carriers and the maximum thermodynamic PCE can be dramatically increased. Quantization effects in semiconductor nanostructures, unique properties of some bulk semiconductors, and exciton multiplication in both semiconductors and molecular chromophores that undergo singlet fission have shown a path forward for potential dramatic increases in the PCEs of solar photons into electricity and solar fuels. The status, history, and future promise of the science and technology of these future approaches for different types of photovoltaic cells and cells for solar fuels will be discussed.

14 SOLAR ENERGY↗

DOE OSTI2024

End-Use Savings Shapes Upgrade Package Documentation: LED Lighting, HP-RTU and ASHP-Boiler

Building on the successfully completed effort to calibrate and validate the U.S. Department of Energy's ResStock and ComStock models over the past 3 years, the objective of this work is to produce national data sets that empower analysts working for federal, state, utility, city, and manufacturer stakeholders to answer a broad range of analysis questions. The goal of this work is to develop energy efficiency, electrification, and demand flexibility end-use load shapes (electricity, gas, propane, or fuel oil) that cover a majority of the high-impact, market-ready (or nearly market-ready) upgrade measures, or upgrades. "Measures" refers to energy efficiency variables that can be applied to buildings during modeling. An end-use savings shape is the difference in energy consumption between a baseline building and a building with an energy efficiency, electrification, or demand flexibility upgrade applied. It results in a time-series profile that is broken down by end use and fuel (electricity or on-site gas, propane, or fuel oil use) at each time step. ComStock is a highly granular, bottom-up model that uses multiple data sources, statistical sampling methods, and advanced building energy simulations to estimate the annual subhourly energy consumption of the commercial building stock across the United States. The baseline model intends to represent the U.S. commercial building stock as it existed in 2018. The methodology and results of the baseline model are discussed in the final technical report of the End-Use Load Profiles project. This documentation focuses on an upgrade package of three end-use savings shapes upgrades - Light Emitting Diode (LED) Lighting, Heat Pump Rooftop Unit (RTU) (HP-RTU), and Air-Source Heat Pump (ASHP) Boiler, which we will refer to collectively as the "Interior Lighting and Heat Pump" package. More details on the individual upgrades can be found on the ComStock Measures Documentation page. An upgrade package applies two or more EUSS upgrades to a single building model simulation. Since ComStock is a bottom-up physics-based model, an upgrade package will go beyond aggregating or summing the individual upgrade results and produce novel results by simulating interactions between the upgrades. For example, pairing an envelope upgrade with an electrification upgrade would likely result in higher savings results than the sum of these upgrades individually, and the size of the heating, ventilating, and air conditioning (HVAC) equipment may be reduced if the envelope upgrade reduces the loads significantly.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2020

Combined Heat and Power Deployment Program

Combined heat and power (CHP) is an efficient and clean approach to generating on-site electric power and useful thermal energy from a single fuel source. Instead of purchasing electricity from the distribution grid and burning fuel in an on-site furnace or boiler to produce thermal energy, CHP provides both energy services to a facility in one energy-efficient step.

CHP↗

DOE OSTI2024

Uncertainty in determining carbon dioxide removal potential of biochar

A quantitative and systematic assessment of uncertainty in life-cycle assessment is critical to informing sustainable development of carbon dioxide removal (CDR) technologies. Biochar is the most commonly sold form of CDR to date and it can be used in applications ranging from concrete to agricultural soil amendments. Previous analyses of biochar rely on modeled or estimated life-cycle data and suggest a cradle-to-gate range of 0.20–1.3 kg CO 2 net removal per kg of biomass feedstock, with the range reported driven by differences in energy consumption, pyrolysis temperature, and feedstock sourcing. Herein, we quantify the distribution of CDR possible for biochar production with a compositional life-cycle inventory model paired with scenario-aware Monte Carlo simulation in a 'best practice' (incorporating lower transportation distances, high pyrolysis temperatures, high energy efficiency, recapture of energy for drying and pyrolysis energy requirements, and co-generation of heat and electricity) and 'poor practice' (higher transportation distances, lower pyrolysis temperatures, low energy efficiency, natural gas for energy requirements, and no energy recovery) scenarios. In the best-practice scenario, cradle-to-gate CDR (which is representative of the upper limit of removal across the entire life cycle) is highly certain, with a median removal of 1.4 kg of CO 2 e/kg biomass and results in net removal across the entire distribution. In contrast, the poor-practice scenario results in median net emissions of 0.090 kg CO 2 e/kg biomass. Whether this scenario emits (66% likelihood) or removes (34% likelihood) carbon dioxide is highly uncertain. The emission intensity of energy inputs to the pyrolysis process and whether the bio-oil co-product is used as a chemical feedstock or combusted are critical factors impacting the net carbon dioxide emissions of biochar production, together responsible for 98% of the difference between the best- and poor-practice scenarios.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

A hybrid robust-stochastic optimization approach for day-ahead scheduling of cascaded hydroelectric system in restructured electricity market

Uncertainties arising from complicated natural and market environments pose great challenges for the efficient operation of cascaded hydroelectric systems. To overcome these challenges, this paper studies the day-ahead scheduling of cascaded hydroelectric systems in a restructured electricity market with the presence of uncertainties in electricity price and natural water inflow. To properly model the uncertainty, we consider the unique characteristics of these two types of uncertainties and capture them via the uncertainty set and stochastic scenarios, respectively. Further, a hybrid robust-stochastic optimization model is developed to simultaneously hedge against these two types of uncertainties, which is formulated as a large-scale non-convex optimization problem with mixed integer recourse. After introducing linearization of nonlinear terms, a tailored hybrid decomposition scheme combining Lagrangian relaxation and Dantzig-Wolfe decomposition is adopted to achieve efficient computation of the proposed model. Two real-world cases are conducted to demonstrate the capability and characteristics of the proposed model and algorithms.

13 HYDRO ENERGY↗

DOE OSTI2023

Thermal Properties of Polymer Hole-Transport Layers Influence the Efficiency Roll-off and Stability of Perovskite Light-Emitting Diodes

While the performance of metal halide perovskite light-emitting diodes (PeLEDs) has rapidly improved in recent years, their stability remains a bottleneck to commercial realization. Here, we show that the thermal stability of polymer hole-transport layers (HTLs) used in PeLEDs represents an important factor influencing the external quantum efficiency (EQE) roll-off and device lifetime. We demonstrate a reduced EQE roll-off, a higher breakdown current density of approximately 6 A cm -2 , a maximum radiance of 760 W sr -1 m -2 , and a longer device lifetime for PeLEDs using polymer HTLs with high glass-transition temperatures. Furthermore, for devices driven by nanosecond electrical pulses, a record high radiance of 1.23 MW sr -1 m -2 and an EQE of approximately 1.92% at 14.6 kA cm -2 are achieved. Thermally stable polymer HTLs enable stable operation of PeLEDs that can sustain more than 11.7 million electrical pulses at 1 kA cm -2 before device failure.

14 SOLAR ENERGY↗

DOE OSTI2022

Spinel Cu–Mn–Cr Oxide Nanoparticle-Pigmented Solar Selective Coatings Maintaining >94% Efficiency at 750 °C

High-temperature concentrating solar power (CSP) system is capable of harvesting and storing solar energy as heat towards cost-effective dispatchable solar electricity. Solar selective coating is a critical component to boost its efficiency by maximizing solar absorptance and minimizing thermal emittance losses. However, maintaining a high solar-thermal conversion efficiency >90% for long-term operation at ≥750 ºC remains a significant challenge. Herein, we report spray-coated spinel Cu-Mn-Cr oxide nanoparticle-pigmented solar selective coatings on Inconel tube sections maintaining ≥94% efficiency at 750 ºC and ≥92.5% at 800 ºC under 1000x solar concentration after 60 simulated day-night thermal cycles in air, each cycle comprising 12h at 750 ºC/800 ºC and 12h cooling to 25 ºC. The solar spectral selectivity is intrinsic to the band-to-band and d-d transitions of non-stoichiometric spinel Cu-Mn-Cr oxide nanoparticles. Furthermore, this feature offers a large fabrication tolerance in nanoparticle volume fraction and coating thickness, facilitating low-cost and scalable spray-coated high-efficiency solar selective absorbers for high-temperature CSP systems.

14 SOLAR ENERGY↗

DOE OSTI2025

Characterization of dangling bond defects at the crystalline Si/SiO x interface in a polycrystalline Si passivating contact solar cell at room temperature with electrically detected magnetic resonance spectroscopy

Monocrystalline silicon solar cells can achieve photoconversion efficiencies exceeding 26%; however, performance-limiting defects that trap carriers continue to be a challenge. In this work, we have characterized Si solar cells with tunneling SiO x /polycrystalline-Si (poly-Si) passivating contacts (TOPCon) on As-doped Czochralski Si wafers with electrically detected magnetic resonance (EDMR) spectroscopy. We fabricated 2 × 20 mm 2 TOPCon-like mini solar cells with edge passivation alongside larger 4 cm 2 sister cells and obtained similar device characteristics. We performed EDMR spectroscopy at 300 K on two minicells with different degrees of surface passivation based on the recombination parameter, J o , values of 40 and 310 fA/cm2. We optimized the resolution and the signal-to-noise ratio of the EDMR response of the minicells by varying the forward bias voltage and the magnetic field modulation amplitude. We detect two distinct signals with EDMR spectroscopy, an axial-like signal at g = 2.009, 2.0087, and 2.0015, and an isotropic signal at g = 2.0024, which we attribute to Si dangling bonds (P b0 and P b centers) and boron–oxygen related defects, respectively, at or near the c-Si/SiO x interface. The EDMR signals were lower for the cell with a lower value of J o , while the ratio of the two defect populations was very similar. The EDMR signal increases with forward bias but drops to zero at bias voltages >0.5 V, consistent with interface defects within or near the boron-doped emitter depletion region. Our study demonstrates a method to fabricate minicells that can be characterized with EDMR spectroscopy to detect industrially relevant defects in TOPCon cells.

14 SOLAR ENERGY↗

DOE OSTI2021

Efficient Hydrogen Delivery for Microbial Electrosynthesis via 3D-Printed Cathodes

The efficient delivery of electrochemically in situ produced H 2 can be a key advantage of microbial electrosynthesis over traditional gas fermentation. However, the technical details of how to supply large amounts of electric current per volume in a biocompatible manner remain unresolved. Here, we explored for the first time the flexibility of complex 3D-printed custom electrodes to fine tune H 2 delivery during microbial electrosynthesis. Using a model system for H 2 -mediated electromethanogenesis comprised of 3D fabricated carbon aerogel cathodes plated with nickel-molybdenum and Methanococcus maripaludis, we showed that novel 3D-printed cathodes facilitated sustained and efficient electromethanogenesis from electricity and CO 2 at an unprecedented volumetric production rate of 2.2 L CH4 /L catholyte /day and at a coulombic efficiency of 99%. Importantly, our experiments revealed that the efficiency of this process strongly depends on the current density. At identical total current supplied, larger surface area cathodes enabled higher methane production and minimized escape of H 2 . Specifically, low current density (<1 mA/cm 2 ) enabled by high surface area cathodes was found to be critical for fast start-up times of the microbial culture, stable steady state performance, and high coulombic efficiencies. Our data demonstrate that 3D-printing of electrodes presents a promising design tool to mitigate effects of bubble formation and local pH gradients within the boundary layer and, thus, resolve key critical limitations for in situ electron delivery in microbial electrosynthesis.

03 NATURAL GAS↗

DOE OSTI2024

Novel ceramic capacitors with ultrahigh energy density and efficiency (Final Technical Report)

Antiferroelectric ceramics are a special class of material that have shown great potential as the dielectric in electrical capacitors due to their high energy- and power-density. During each charge-discharge cycle, the ceramic undergoes transformation to a ferroelectric phase and resumes its antiferroelectric phase. The hysteresis associated with the transitions leads to a mediocre energy efficiency and service lifetime of antiferroelectric capacitors and, hence, their almost absence in commercial products. Under the support of this research project, we first formulated a universal lattice-compatibility theory that included electrostatic polarization energy along with elastic energy and thermal energy to understand the origin of the hysteresis in antiferroelectric oxides. Guided by this compatibility theory, we conducted high-throughput density functional theory (DFT) calculations to assess chemical modifiers and their effect on crystal structures of 400+ PbZrO 3 -based compositions. Down-selected compositions were experimentally validated for their suppressed hysteresis and higher energy efficiency. The verified low-hysteresis compositions were then expanded to an antiferroelectric ceramic library with nearly 500 new compositions (more than 1,500 samples) using high-throughput experiments involving ceramic synthesis and property screening. The large quantity of data generated (theory and experimental) in these tasks were processed by machine-learning techniques and identified trends were fed to the next iteration. In the end, we successfully discovered four compositions with near-zero hysteresis, yielding a world-record energy efficiency of 98.2% at an energy density of 3.0 J/cm 3 . Furthermore, our antiferroelectric ceramic capacitor reaches 79.5 million charge-discharge cycles lifetime, a factor of 80 enhancement over previous antiferroelectric ceramics with large hysteresis. These research accomplishments have not only met the milestones set in the SOPO, but also led to two patent filings, three journal publications (one of them was in Advanced Materials, impact factor 29.4), and nine oral presentations at various venues. Through the course of the project, three postdocs, four Ph.D. students, and one M.S. student were trained. In short, our project established a new methodology in searching next-generation functional ceramics on the fundamental side and discovered several high-efficiency antiferroelectric compositions for capacitors on the applied side. Once fabricated into the multilayer form for commercial applications, these ceramic capacitors can potentially enable the high temperature high power density DC-link capacitors that are critical for the next generation inverters in electric vehicles. The project also significantly contributed to the nation’s workforce development in the STEM fields.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Material Selection and Sizing of a Thermoelectric Generator (TEG) for Power Generation in a Self-Powered Heating System

By employing the high temperature heat source to directly generate the electricity needed to power auxiliary systems in a natural gas furnace, boiler or hot water heater, a “self-powered” heating system can provide several benefits. Compared with a traditional furnace, boiler or hot water heater, when overall fuel utilization is kept constant, the self-powered system will have a higher primary energy efficiency, lower operating costs, and dramatically improved building safety and resilience during electric grid outages. Furthermore, a self-powered heating system only has a single utility connection – natural gas, without an electric connection – thus simplifying installation. A thermoelectric generator can be used for direct energy conversion of thermal energy to electricity with no moving parts, which offers a very simple means to provide power for the self-powered heating system, and the operation is without noise or vibration and can thus provide a very long system life. This paper provides an analysis focused on materials selection and the thermal power requirements for a thermoelectric generator (TEG) for use in a self-powered heating system. The dimensionless figure of merit for thermoelectric materials, zT, is used to estimate the optimal efficiency that can be achieved with a TEG to produce the electric power required in such an application. Comparisons of the predicted efficiency, the required heat transfer rate to the TEG and the heat transfer area needed for sustained operation under thermal conditions relevant to the self-powered heating application are made for several potential thermoelectric materials. This analysis was used to develop system requirements for a self-powered hot water heater using a TEG for electric power generation.

Laclair, Tim↗

DOE OSTI2022

Instrumentation for Assessing DC Electrical Distribution Systems in Buildings

Direct current (DC) distribution systems is emerging as a favorable option over alternating current in buildings due to its energy and non-energy benefits (e.g., efficiency, resilience, safety). However, limited guidelines exist to evaluate the DC electrical distribution infrastructure. This paper aims to fill that gap by detailing our experience with metering a building-level electrical DC distribution system. Our case study is a DC microgrid at the Direct Energy Partners Research & Development facility located in Charlotte, North Carolina. This paper presents our approach, technical challenges, and lessons learned with DC metering and instrumentation.

buildings↗

DOE OSTI2020

An Assessment of Impacts on Electric End-Use Load Profile of a Typical Residential Building from a Ground Source Heat Pump Systems Integrated with Underground Thermal Energy Storage

Buildings are the primary users of electricity, and a considerable amount of electric energy consumed in residential and commercial buildings is for meeting thermal demands (e.g., space heating/cooling, water heating, etc.). Therefore, integrating thermal energy storage with a building’s energy system has the potential to reshape the electric load profile of the building and mitigate the mismatch between the renewable power supply and the thermal demands of buildings. A novel ground-source heat pump system (GSHP) integrated with underground thermal energy storage (UTES) has been developed to enable flexible electric demand at buildings while meeting their thermal demands with an energy-efficient GSHP system. This paper assessed the potential impacts of the proposed system on the peak electrical demand and annual electricity consumption in a typical residential building at various climate zones in the United States. The results show that by replacing the conventional HVAC system (air conditioner and natural gas furnace) with the UTES integrated GSHP system, summer peak electric demand can be reduced by 27% to 50% depending on the weather. Although the winter peak electrical demand could be increased by up to 70% if the proposed system replaces natural gas furnace, the existing electricity supply system for single-family homes in most regions of the United States have adequate capacity for the replacement. While eliminating the natural gas consumption for space heating, the proposed system consumes more electricity on an annual basis in heating-dominated regions. However, it consumes less electricity in cooling dominated regions. The resulting variance in annual electricity consumption in various climate zones is within 15% compared with the baseline system.

Shi, Liang↗