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DOE OSTI2021

Topological Magnets: Functions Based on Berry Phase and Multipoles

Macroscopic responses of magnets are often governed by magnetization and, thus, have been restricted to ferromagnets. However, such responses are strikingly large in the newly developed topological magnets, breaking the conventional scaling with magnetization. Taking the recently discovered antiferromagnetic (AF) Weyl semimetals as a prime example, we highlight the two central ingredients driving the significant macroscopic responses: the Berry curvature enhanced because of nontrivial band topology in momentum space, and the cluster magnetic multipoles in real space. The combination of large Berry curvature and multipoles enables large macroscopic responses such as the anomalous Hall and Nernst effects, the magneto-optical effect, and the novel magnetic spin Hall effect in antiferromagnets with negligible net magnetization, but also allows us to manipulate these effects by electrical means. Furthermore, nodal-point and nodal-line semimetallic states in ferromagnets may provide the strongly enhanced Berry curvature near the Fermi energy, leading to large responses beyond the conventional magnetization scaling. These significant properties and functions of the topological magnets lay the foundation for future technological development such as spintronics and thermoelectric technology.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2026

Scalable, low-cost ink-based processing of high-performance silver selenide thermoelectrics

The growing global energy demand and its accelerating contribution to climate change emphasize the urgent need for sustainable energy conversion/harvesting technologies. Thermoelectric (TE) devices offer a compelling route to directly convert waste heat into electricity and enable solid-state cooling without moving parts or harmful refrigerants. Achieving their full potential requires not only higher TE performance (zT) but also scalable, low-cost manufacturing processes. Here, we introduce a transformative ink-based processing approach for scalable manufacturing of high-performance silver selenide-based TE materials and devices. Using a simple, high-throughput ink-mixing and blade coating strategy, our Ag 2 Se-based materials under the optimized composition and processing conditions yield an ultrahigh room-temperature power factor of 2.8 mW m −1 K −2 , over 100% higher than baseline samples and a reproducible figure of merit zT of 1 at room temperature. A thermoelectric generator (TEG) achieves a very competitive power density of 112 mW cm −2 at a 90 °C temperature difference between the hot and cold sides of the device, which is among the highest reported for silver selenide-based TE devices to date. This facile, scalable ink-based processing establishes a practical pathway toward industrial-scale manufacturing and widespread adoption of thermoelectric devices, advancing sustainable energy technologies.

Bappy, Md. Omarsany [University of Notre Dame, IN ↗

DOE OSTI2025

Beyond the four core effects: revisiting thermoelectrics with a high-entropy design

Low-exergy waste heat, which constitutes the majority of industrial-scale thermal losses, remains largely unrecoverable with conventional technologies. Thermoelectrics offer a solid-state solution for converting this hard-to-access energy into electricity, making them attractive for decentralized power generation and sensor applications. High-entropy materials (HEMs) have gained traction as a strategy for better-performing thermoelectrics, but the mechanisms driving their benefits require further exploration. This article highlights key insights for heat and electronic transport in HEMs. For heat transport, we argue that reduced, and often ultralow, lattice thermal conductivity in HEMs—with respect to ordered counterparts—can be taken for granted, emerging naturally as a fifth core effect of high-entropy systems. While band convergence is often considered beneficial for electronic transport, its impact depends strongly on the electronic structure. We summarize the scenarios where it can be detrimental to thermoelectric performance. These insights motivate strategies that align seamlessly with advancements in artificial intelligence and data-driven approaches, helping accelerate the discovery of next-generation thermoelectric materials.

Oses, Corey [Johns Hopkins Univ., Baltimore, MD (U↗

DOE OSTI2021

Conformal High-Power-Density Half-Heusler Thermoelectric Modules: A Pathway toward Practical Power Generators

Thermoelectric generators (TEGs) exploiting the Seebeck effect provide a promising solution for waste heat recovery. Among the large number of thermoelectric (TE) materials, half-Heusler (hH) alloys are leading candidates for medium- to high-temperature power generation applications. However, the fundamental challenge in this field has been inhomogeneous material properties at large wafer diameters, insufficient power output from the modules, and rigid form factors of TE modules. This has restricted the transition of TEGs in practical applications for over three decades. Here, we successfully demonstrate large diameter wafers with uniform TE properties, high-power conformal hH TE modules for high-temperature application, and their direct integration on flue gas platforms, such as cylindrical tubes, to form large area flexible TEGs. This new conformal architecture design provides a breakthrough toward medium-/high-temperature TEGs over the conventional BiTe- and polymer-based flexible TEG design. In this work, a variable fill factor and greater flexibility due to the conformal design result in higher device performance as compared to conventional rigid TEG devices. Modules with 72-couple hH legs exhibit a device high-power-density of 3.13 W cm-2 and a total output power of 56.6 W under a temperature difference of 570 degrees C. These results provide a promising pathway toward widespread utilization of thermoelectric technology into the waste heat recovery application and will have a significant impact on the development of practical thermal to electrical converters.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2022

Evaluating power grid model hydropower feasibility with a river operations model

Production cost models (PCMs) simulate dispatch of generators across a large power grid and are used widely by planners to study the reliability of electricity supply. As energy systems transition away from the thermoelectric technologies that have traditionally balanced electricity supply and demand, hydropower and its representation in PCMs is of increasing importance. A limitation of PCMs applied to continental power grids with diverse generation portfolios is that hydropower generation is simulated without full consideration of complex river dynamics, leading to possible misrepresentation of grid flexibility and performance. In addition, data used in PCMs may reflect outdated operating policies. In this paper we propose a hydropower generation feasibility test for PCMs. The approach uses a detailed hydropower model to determine whether the hourly hydropower schedule from a PCM with simplified monthly parameterization can be attained after accounting for realistic river dynamics and operating policies, such as spill requirements and general water movement and balance through a cascade reservoir system. We perform this hydropower generation test for the ‘Big 10’ hydropower system on the Columbia River (part of the Western Interconnect of the United States), revealing 9% overestimation of available hydropower generation in a PCM solution in an average hydrologic year. Our evaluation provides insight on the cost and opportunities for better representing hydropower in PCMs.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Solution-phase p-type doping of highly enriched semiconducting single-walled carbon nanotubes for thermoelectric thin films

Single-walled carbon nanotubes (SWCNTs) are attractive materials for next-generation energy-harvesting technologies, including thermoelectric generators, due to their tunable opto-electronic properties and high charge carrier mobilities. Controlling the Fermi level within these unique 1D nanomaterials is often afforded by charge transfer interactions between SWCNTs and electron or hole accepting species. Conventional methods to dope SWCNT networks typically involve the diffusion of molecular redox dopant species into solid-state thin films, but solution-phase doping could potentially provide routes and/or benefits for charge carrier transport, scalability, and stability. Here, we develop a methodology for solution-phase doping of polymer-wrapped, highly enriched semiconducting SWCNTs using a p-type charge transfer dopant, F4TCNQ. This allows doped SWCNT inks to be cast into thin films without the need for additional post-deposition doping treatments. We demonstrate that the introduction of the dopant at varying stages of the SWCNT dispersion process impacts the ultimate thermoelectric performance and observe that the dopant alters the polymer selectivity for semiconducting vs metallic SWCNTs. In contrast to dense semiconducting polymer films, where solution-phase doping typically leads to disrupted morphologies and poorer TE performance than solid-state doping, thin films of solution-doped s-SWCNTs perform similarly to their solid-state doped counterparts. Interestingly, our results also suggest that solution-phase F4TCNQ doping leads to fully ionized and dimerized F4TCNQ anions in solid-state films that are not observed in films doped with F4TCNQ after deposition. Our results provide a framework for the application of solution-phase doping to a broad array of high-performance SWCNT-based thermoelectric materials and devices that may require high-throughput deposition techniques.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2023

Semiconductor Thermal and Electrical Properties Decoupled by Localized Phonon Resonances

Abstract Thermoelectric materials convert heat into electricity through thermally driven charge transport in solids or vice versa for cooling. To compete with conventional energy‐conversion technologies, a thermoelectric material must possess the properties of both an electrical conductor and a thermal insulator. However, these properties are normally mutually exclusive because of the interconnection between scattering mechanisms for charge carriers and phonons. Recent theoretical investigations on sub‐device scales have revealed that nanopillars attached to a membrane exhibit a multitude of local phonon resonances, spanning the full spectrum, that couple with the heat‐carrying phonons in the membrane and cause a reduction in the in‐plane thermal conductivity, with no expected change in the electrical properties because the nanopillars are outside the pathway of voltage generation and charge transport. Here this effect is demonstrated experimentally for the first time by investigating device‐scale suspended silicon membranes with GaN nanopillars grown on the surface. The nanopillars cause up to 21% reduction in the thermal conductivity while the power factor remains unaffected, thus demonstrating an unprecedented decoupling in the semiconductor's thermoelectric properties. The measured thermal conductivity behavior for coalesced nanopillars and corresponding lattice‐dynamics calculations provide evidence that the reductions are mechanistically tied to the phonon resonances. This finding paves the way for high‐efficiency solid‐state energy recovery and cooling.

Spann, Bryan T.↗

DOE OSTI2021

Oxidation-enhanced thermoelectric efficiency in a two-dimensional phosphorene oxide

We performed density functional theory calculations to investigate the thermoelectric properties of phosphorene oxide (PO) expected to form by spontaneous oxidation of phosphorene. Since thermoelectric features by nature arise from the consequences of the electron-phonon interaction, we computed the phonon-mediated electron relaxation time, which was fed into the semiclassical Boltzmann transport equation to be solved for various thermoelectric-related quantities. It was found that PO exhibits superior thermoelectric performance compared with its pristine counterpart, which has been proposed to be a candidate for the use of future thermoelectric applications. We revealed that spontaneous oxidation of phosphorene leads to a significant enhancement in the thermoelectric properties of n-doped phosphorene oxide, which is attributed to the considerable reduction of lattice thermal conductivity albeit a small decrease in electrical conductivity. Our results suggest that controlling oxidation may be utilized to improve thermoelectric performance in nanostructures, and PO can be a promising candidate for low-dimensional thermoelectric devices.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Macroscopic weavable fibers of carbon nanotubes with giant thermoelectric power factor

Low-dimensional materials have recently attracted much interest as thermoelectric materials because of their charge carrier confinement leading to thermoelectric performance enhancement. Carbon nanotubes are promising candidates because of their one-dimensionality in addition to their unique advantages such as flexibility and light weight. However, preserving the large power factor of individual carbon nanotubes in macroscopic assemblies has been challenging, primarily due to poor sample morphology and a lack of proper Fermi energy tuning. Here, we report an ultrahigh value of power factor (14± 5 mW m -1 K -2 ) for macroscopic weavable fibers of aligned carbon nanotubes with ultrahigh electrical and thermal conductivity. The observed giant power factor originates from the ultrahigh electrical conductivity achieved through excellent sample morphology, combined with an enhanced Seebeck coefficient through Fermi energy tuning. We fabricate a textile thermoelectric generator based on these carbon nanotube fibers, which demonstrates high thermoelectric performance, weavability, and scalability. The giant power factor we observe make these fibers strong candidates for the emerging field of thermoelectric active cooling, which requires a large thermoelectric power factor and a large thermal conductivity at the same time.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2026

Field Demonstration and Adoption Impacts of an Affordable Thermoelectric Heat Pump

This study presents the design, field validation, and utility impacts of an air source heat pump that uses thermoelectric (TE) technology to provide supplemental heating at outside air temperatures below 17°F. Conventional heat pumps experience reduced heating capacity and COP at low outdoor temperatures due to the temperature difference between the source and demand sides of the vapor compression cycle. Consequently, during colder months, supplemental heating such as electric resistance or natural gas furnace is often needed to provide additional warmth, which increases the overall equipment and energy costs. To address this challenge, a TE subcooler (an array of solid-state, thermoelectric modules that provides heat pumping using non-vapor compression technique) is fabricated and integrated with the vapor compression cycle of a conventional air-source heat pump. In colder ambient conditions, TE subcooler exchanges heat with the refrigerant to provide additional subcooling, thereby enhancing the capacity of the heat pump. The operation of thermoelectric-integrated heat pump was demonstrated in an occupied single-family home in Nashville, TN. The TE subcooler increased the system’s heating capacity at 15°F outdoor temperature by 25–30% and reduced electricity demand by 10%. It also met the heating load in the house without supplemental electric resistance down to 5°F outdoors, delivering the additional heat at nearly 80% greater efficiency compared to electric resistance heating. With a modest first cost increment of 10–15% over conventional single-speed heat pumps, this approach offers a promising, energy-efficient solution to accelerate residential heat pump adoption in the U.S.

KRISHNAMOORTHY, Sreenidhi [Electric Power Research↗

DOE OSTI2023

Enhanced Thermoelectric Properties of Heavy-fermion Compounds $\text{Yb}_x\text{Ce}_y\text{Sm}_z\text{Ir}_2\text{Zn}_{20}$ $(x+y+z=1)$

Herein, thermoelectric materials hold tremendous promise for advances in fundamental science and practical ap- plications, particularly for robust electricity generation in extreme and remote environments. Despite this, for most materials the energy conversion efficiency is limited by the proportionality between the electrical and thermal conductivities and small values of the Seebeck coefficient for metals. It was previously reported that the heavy-fermion compound $\text{YbIr}_2$ $\text{Zn}_{20}$ exhibits large Seebeck coefficient and thermoelectric figure of merit $ZT$ at 35 K. This behavior is primarily associated with strong hybridization between the $f$- and conduction electron states. Here, we seek to improve the thermoelectric properties through chemical substitution on the Yb site using Ce and Sm. By surveying different levels of substitution, we find that the thermoelectric properties vary strongly with the $f$-element ratio. This confirms that electronic hybridization dominates the thermoelectric properties and clarifies directions for optimizing these materials for applications. We also investigate the impact of the disorder on the thermal conductivity, where we find only weak variation with lanthanide content.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Power generation-cooling water Nexus: Impacts of cooling water shortage on power system operation - a simulation case study in Illinois, U.S

Cooling water shortage, frequently attributed to drought and heat waves, poses a significant threat to the operations of thermoelectric power plants and further poses a challenge for the entire power system and environmental stakeholders. Recognizing the critical nexus between power generation and cooling water availability and the potential ability of power generations to adjust generation schedules during cooling water shortages, this paper introduces a security-constrained unit commitment and economic dispatch model considering water-energy nexus. In specific, the model is augmented with a unit-level cooling water requirement (CWR) model and multi-level cooling water availability (CWA) constraints. The unit-level CWR model quantifies the cooling water withdrawal per MWh of power generation, taking into account factors such as thermoelectric generation technologies, cooling system technologies, and environmental parameters. The multi-level CWA constraints incorporate pump-level, plant-level, watershed-level, and forced minimum power constraints, utilizing data derived from actual-based cooling water shortage scenarios. Using a simulation case study in Illinois, United States, this research examines the reliability, economic, and environmental implications of cooling water shortages on power system operations. The results show that Illinois may experience 10-15% daily load curtailment and severe congestion between certain regions from the east to central during cooling water shortages, while once-through and wet-tower units experience a 52% and 17% reduction in power generation. In conclusion, overall cooling water withdrawal decreases by 24-38% as severity intensifies.

Cooling water shortage↗

DOE OSTI2024

Experimental Investigation on Heating Performance of a Cold Climate Thermoelectric-Assisted Heat Pump

To accelerate the electrification of air source heat pumps (ASHPs) in cold climates across the United States, various initiatives have been launched to enhance the effectiveness of ASHPs. One avenue of research involves incorporating thermoelectric (TE) technology into vapor compression refrigeration cycles. This study aims to assess the heating performance of a cold climate ASHP by employing TE modules as a liquid line subcooler. The tested system is a nominal 4.5-ton split heat pump utilizing R410A, equipped with a scroll compressor and an accumulator. An electronic expansion valve was employed for both cooling and heating modes. Two configurations of TE sub-coolers, one utilizing 2 TE bundles and the other 4 TE bundles, were integrated into the liquid line of the tested system. The heating performance of these configurations was evaluated. The results revealed that activating the TE subcooler led to a notable increase in total heat capacity, reaching 1318 W at -15.0 °C and 1164 W at -19.0 °C. The corresponding TE coefficients of performance (COPs) were 1.76 and 1.63, respectively. The activation of the TE sub-cooler resulted in a slight reduction in the overall system COP, with a decrease ranging from -2.6% to -4.2% for these two temperatures. The system COPs were measured at 2.10 and 1.86 for -15.0 °C and -19.0 °C, respectively. This prototype demonstrated a significant augmentation in heating capacity with a minimal sacrifice in COP.

Hu, Yifeng↗

DOE OSTI2022

Integration of Thermoelectric Modules to Vapor Compression Systems

This paper describes the technology of a thermoelectric (TE) integrated heat pump. It uses a TE heat pump to subcool the refrigerant liquid before entering the evaporator to enlarge the evaporating capacity; and elevate the heat in the refrigerant flow to a supplemental heating coil and discharge the capacity to the indoor air flow. Using the DOE/ORNL Heat Pump Design Model, four system configurations were modelled on a baseline two-speed heat pump, the baseline heat pump with adding a supplemental coil, the TE integrated heat pump having one stage TE heating to control a 20R liquid refrigerant temperature drop; and having two stages TE heating to control up to 40R temperature drop. The system models were used to produce performance curves for EnergyPlus building energy simulations. We selected template residential buildings, poorly insulated: pre-1990 buildings, and well-insulated: IECC2021 buildings; in five cold climate zones: 5A, 5B, 6A, 6B, 7. The building energy simulations demonstrated energy saving potentials, utility cost reductions and estimated payback periods.

Shen, Bo↗

DOE OSTI2025

Decarbonization and technology cost drivers: considerations for potential future thermoelectric water use in the power sector

The power sector is currently undergoing significant changes, driven by a combination of factors, including decarbonization and technology innovation. This study aims to assess implications of these drivers on U.S. power sector technology futures and the associated water and environmental implications for cooling thermoelectric power plants. Specifically, we evaluate four decarbonization scenarios for the contiguous United States that vary in assumptions concerning demand growth and technology costs, with technology costs driving alternative outcomes that prioritize either technologies that require low amounts of water (such as wind, solar, and battery) or high amounts of water (such as nuclear and carbon capture and storage). These scenarios are executed in a power sector capacity expansion model and compared to two reference scenarios that assume status quo with policy and cost drivers. Our analysis indicates that future U.S. thermoelectric water withdrawals could decrease by 25%–60%, but water consumption could more than triple in some scenarios. These changes are driven by a combination of retirement of some power facilities, shifts in cooling technologies, and new technology deployment. The water use patterns vary across the United States, with the eastern regions demonstrating a lot more variability in water consumption across scenarios than western regions. However, local concerns can influence these possible investments, since increased water consumption can exacerbate water scarcity, leading to conflicts among competing users and affecting regional social, environmental, and economic dynamics. Future work should consider possible costs associated with alternate water sources, as well as improve the representation of water constraints within simulations. Inclusion of extreme events and alternate modeling platforms (e.g. production cost modeling and resource adequacy) may also be warranted to further stress test the robustness of these possible technology futures. Such assessments will be critical for ensuring decarbonization and other infrastructure-oriented investments lead to a reliable and resilient power grid.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2025

Synthesizing intermetallic thermoelectric materials using metal flux growth method

With zero energy poverty by 2050 goals, exploring innovative energy technologies is essential. Thermoelectric materials (TEMs) have the potential to harness waste heat and convert it to electricity (e.g., for spacecraft power, sensors, and cryogenic cooling). Two limitations of thermoelectric compounds are their low efficiency and limited pool of materials. Optimizing the efficiency of TEMs is challenging due to the interdependent relationship between electrical and thermal conductivity. A deeper understanding of electronic properties and lattice thermal conductivity is necessary to “understand, predict and ultimately control” the thermoelectric properties of TEMs. Understanding the influence of light-atom-doping and intrinsic defects on the electronic properties of the f-element containing TEMs are important questions that need to be answered to design and synthesize TEMs with optimal parameters. The purpose of this work is to understand how doping f-element based TEMs with light elements, such as carbon and boron, would impact the crystal structure, bond lengths, band gaps, and thermoelectric characteristics. High-quality f¬-element containing intermetallic single crystals are grown in metal flux media. In molten metal flux growth method, one or more low-melting metals such as aluminum, gallium, tin, and bismuth are used in excess as the reaction medium. As these are solution-state reactions, we can use lower temperatures than solid-state reactions and isolate the kinetic products instead of the thermodynamically stable compound. Then these are characterized using X-ray diffraction, scanning electron microscopy, energy dispersive spectroscopy, magnetization, electrical and thermal conductivities, and thermoelectric power.

37 - INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL C↗

DOE OSTI2024

An Advanced Cooling Device for Concentrated Photovoltaic Systems

Concentrated photovoltaics (CPV) have the potential to significantly enhance the energy conversion utilization of solar panels and reduce solar generation costs, making them a crucial area of advancement in solar power generation technology. However, the concentration of sunlight can lead to overheating of solar panels, resulting in a notable reduction in both the efficiency of solar power generation and the lifespan of the panels. This challenge remains the predominant technical hurdle that hinders the application of concentrated photovoltaic power generation technology. In this study, we propose a new cooling method for concentrated photovoltaic power generation systems via an integrated approach of incorporating Phase-Change Thermal Storage (PCTS) and Thermoelectric Generator (TEG) technology. This new method not only enhances the overall system's electricity generation efficiency but also effectively resolves the technical challenge of concentrated photovoltaic panel overheating issues, ensuring the continuity of concentrated photovoltaic power generation and extending the lifespan of solar panels and their components. In order to make full use of the wasted heat generated by photovoltaic power generation and effectively improve the power generation efficiency of the system, this work developed a phase change heat storage device based on a phase change material. This device uses the temperature difference between day and night to recover wasted heat from photovoltaic power generation. Through integration with the thermoelectric power generation system, thermal energy can be converted into electrical energy. In addition, the Peltier effect of thermoelectric materials is used to construct a photovoltaic panel overheating protection system, which significantly improves the reliability and service life of the system.

14 SOLAR ENERGY↗

DOE OSTI2024

An Advanced Cooling Device for Concentrated Photovoltaic Systems

Gou, Yimeng↗