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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Electron/hole selectivity in organic semiconductor contacts for solar energy conversion (Final Report)

Four major and accomplishments for the project "Electron/hole selectivity in organic semiconductor contacts for solar energy conversion.'' are reported. The first is a development of a model describing the contact-determined behavior of a solar cell. The most basic solar cell consists of an intrinsic (pure) semiconductor that acts as an absorber to which contacts are made that provide the asymmetry needed to create a driving force (voltage) for the directional flow of electrons (current), in other words, to convert sunlight into electrical energy. The asymmetry at the contacts comes from the different rate at which electrons and holes, the charge carriers generated by illumination, are collected. We developed a model that describes the ideal current-voltage, and hence energy converting properties, of an ideal photovoltaic that is entirely determined by the kinetics for these charge collection processes. Second, we measured how organic semiconductor interfacial layers impact contact electron and hole transfer rates at semiconductor interfaces and described how these concepts do or do not determine the open-circuit voltage of a solar cell. The work clearly controverts common general misconceptions about the action of contact interfacial layers, such as the idea that improved selectivity for one carrier over the other results from decreased recombination, and quantitatively demonstrates how specific interfacial layer materials act to improve the efficiency of a solar cell. Third, we measured the sub-band gap external quantum efficiency (EQE) of a series of organometal halide perovskite (“perovskite”) solar cells. These measurements quantified band-tailing and revealed defect states, which can cause recombination, that correlate with composition, performance, and hysteresis. Finally, we developed a semiconductor bipolar membrane that uses light to pump ions. This structure is unique among systems that drive ion gradients using light in that it is designed to pump salt rather than one sign of ion; it is a photochemical salt pump.

14 SOLAR ENERGY↗
DOE OSTI2022

Determining critical points to control electric lighting to meet circadian lighting requirements and minimize energy use

Designing electric lighting systems to meet circadian lighting requirements may raise light levels and consequently energy use compared to existing practices. To reduce energy use, electric lighting can be controlled to be dimmed or turned off when sufficient daylight levels are available in space. This requires input from one or a few critical measurement points. However, it is unclear how critical points can be determined to ensure that all occupants receive the needed light levels while reducing electric lighting energy. This paper discusses three approaches for selecting critical points and utilizes annual daylight simulations modified to account for sky spectra, and coupled with spectral electric lighting simulations. Among the three evaluated approaches, the use of continuous daylight autonomy (modified to use EML measured at eye positions) is helpful for estimating electric lighting energy for dimmable electric lighting systems, and for identifying energy-saving strategies.

Abboushi, Belal K.↗
DOE OSTI2022

Ultra-fast microwave regeneration of CO 2 solid sorbents for energy-efficient direct air capture

Large-scale deployment of direct air capture (DAC) technologies has become critical for mitigating climate change. Towards this end, energy-efficient regeneration of the sorbents used in the process of carbon capture from air is very important to significantly reduce the high operational cost of DAC. Guanidine compounds can be used with environmentally friendly aqueous amino acids (e.g., potassium sarcosinate) for fast and effective CO 2 capture from air, and have a strong potential for low-energy CO 2 release and sorbent regeneration. In this process, the amino acid absorbs the CO 2 from the air, and the guanidine compounds react with the CO 2 -rich amino acid solution and crystallize as an insoluble carbonate salt. Separation and thermal regeneration of the precipitated guanidine carbonate salt leads to an overall low-temperature and low-energy direct air capture process. Effective CO 2 release from the solid guanidine compound can be achieved by mild heating at 120 °C. Here, in this study, to overcome the relatively inefficient traditional conductive heating of the crystalline solid (i.e., Methylglyoxal-bis(iminoguanidine) carbonate, MGBIG carbonate), we evaluated the feasibility of microwave heating of MGBIG carbonate in terms of power requirement, radiation time, and solids mass for efficient CO 2 desorption. The energy consumption needed by a microwave oven and a conventional oven to regenerate the same mass of the sorbent was directly measured to compare the total energy required per unit mass of regenerated sample and provide an understanding of the potential benefits of microwave regeneration. We found that microwave heating effectively regenerates MGBIG carbonate, which may be facilitated by the water molecules that are co-crystallized with carbonate in the guanidine crystals. Microwave heating at 2.54 GHz with 1250 W is up to 17 times faster than conventional conductive heating at 160 °C, resulting in 40 % electrical energy reduction. These results indicate that microwave regeneration may be an energy-efficient method for fast regeneration of solid sorbents used for direct air capture.

42 ENGINEERING↗
DOE OSTI2024

Power capture and power take-off load of a self-balanced dual-flap oscillating surge wave energy converter

Wave energy converters are an important part of future renewable energy infrastructure. Predicting their power matrix, capture width ratio, and power take-off loads at a targeted site is required for performance assessment before deployment. Because their testing is very expensive, numerical modeling and simulations play a significant role in those assessments. Linear potential flow theory has limited accuracy under large amplitude wave forcing. More accurate predictions can be obtained by using higher-fidelity models, which are computationally expensive. We present a framework for multi-fidelity numerical simulations to determine the hydrodynamic response, wave capture capability, and power take-off load of a full-scale dual-flap oscillating surge wave energy converter. This design exploits out-of-phase motion by setting the distance between the flaps to half the wavelength of the most occurring wave. The simulations are validated using a 1:10 model experiments in a wave tank. Based on these validations, it was determined that Euler simulations provide an acceptable prediction with 90% reduction in computational time with only 11% error. Utilizing Euler simulations at full-scale, the results demonstrate that the annual electrical energy output is 1.79 GWh under regular wave conditions. Here, one significant improvement over single-flap designs is the capture width ratio which exceeds unity.

16 TIDAL AND WAVE POWER↗
DOE OSTI2023

Understanding Interfacial Electrochemical Reactions through in situ ec-STEM and IL-Cryo-STEM

A major criterion in the design of next generation materials for electrical energy storage applications is a comprehensive understanding of interfacial electrochemical reactions as well as correlating the structure and chemistry across site-specific electrode/electrolyte interfaces with electron, charge, and mass transport processes as they govern performance characteristics. Scanning transmission electron microscopy (STEM) based techniques have emerged as an indispensable materials characterization tool that provides high spatial resolution imaging and chemical analysis and has been effectively utilized to obtain an atomic to nanoscale view of the interfacial structure before and after electrochemical cycling. More recently, there have been several advances that now allows us to obtain more detailed mechanistic insight into evolving reactions through in situ ec-STEM and electrical biasing platforms such as in the understanding of the mechanisms of solid electrolyte interphase formation, lithium dendrite nucleation and growth mechanisms and ionic transport mechanisms within intercalation, conversion, and alloying electrode materials. Several major advantages of the in situ ec-STEM approach is the quantitative electrochemical measurement of charge passed during cycling with simultaneous analysis of the electrochemical processes with STEM imaging and diffraction. Here, while spectroscopic analysis of the electrochemical reactions products has been performed, there is the issue of beam sensitivity and therefore, Cryo-STEM imaging combined with electron energy loss spectroscopy (EELS) techniques have been employed to analyze the chemistry of the SEI and Li dendrites. In this talk, we discuss the potential for combining identical location (IL) STEM techniques with Cryo-EM. The advantage of using this approach is that the sample is placed on a conventional TEM grid and the exact same location of the specimen can be analyzed before and after quantitative electrochemical measurements. Moreover, since the sample is on the TEM grid, the grid itself can be prepared for further Cryo-TEM experiments by plunge freezing in liquid nitrogen then transferred to the Cryo-TEM under liquid nitrogen. Results obtain from these experiments can be used to enhance our scientific understanding of interfacial chemistry at electrode/electrolyte interfaces and may be useful in the design of new materials.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Energy innovation in the US buildings sector: Setting the stage and mapping the future

Jared Langevin is a staff scientist at Lawrence Berkeley National Laboratory, where he leads modeling of US buildings sector innovation and its implications for energy demand, consumer costs, and the power grid. Eric Wilson is a senior research engineer in the Building Technologies and Sciences Center at the National Renewable Energy Laboratory (NREL). Much of his 15-year career at NREL has revolved around modeling and analysis of the US building stock. Jared and Eric co-led the development of a National Blueprint for buildings sector innovation while serving as advisors to the US Department of Energy’s Deputy Assistant Secretary for Buildings and Industry.

Langevin, Jared↗
DOE OSTI2021

Polycrystalline SnSe with a thermoelectric figure of merit greater than the single crystal

Abstract Thermoelectric materials generate electric energy from waste heat, with conversion efficiency governed by the dimensionless figure of merit, ZT. Single-crystal tin selenide (SnSe) was discovered to exhibit a high ZT of roughly 2.2–2.6 at 913 K, but more practical and deployable polycrystal versions of the same compound suffer from much poorer overall ZT, thereby thwarting prospects for cost-effective lead-free thermoelectrics. The poor polycrystal bulk performance is attributed to traces of tin oxides covering the surface of SnSe powders, which increases thermal conductivity, reduces electrical conductivity and thereby reduces ZT. Here, we report that hole-doped SnSe polycrystalline samples with reagents carefully purified and tin oxides removed exhibit an ZT of roughly 3.1 at 783 K. Its lattice thermal conductivity is ultralow at roughly 0.07 W m –1 K –1 at 783 K, lower than the single crystals. The path to ultrahigh thermoelectric performance in polycrystalline samples is the proper removal of the deleterious thermally conductive oxides from the surface of SnSe grains. These results could open an era of high-performance practical thermoelectrics from this high-performance material.

36 MATERIALS SCIENCE↗
DOE OSTI2022

System and method thermopile energy harvesting for subsurface well bore sensors

A system and method for powering a borehole sensor with thermal energy is disclosed. The system includes a tubular pipe inserted into a subsurface borehole. A borehole casing is coaxially disposed with the tubular pipe. An annular space between the casing and the tubular pipe has a power source placed in the borehole to power a sensor in response to a temperature gradient between a surface of the casing and a surface of the tubular pipe. The method includes attaching thermopiles on the borehole casing or tubing; placing the thermopile in the annulus between the casing and the tubing; inducing a thermal gradient across the thermopile; generating an electrical energy in response to the temperature gradient; powering the sensor from the generated energy; and monitoring vertical expansion of a CO2 plume.

Bryan, Charles R.↗
DOE OSTI2023

Achieving Thermodynamic Stability of Single-Crystal Co-Free Ni-Rich Cathode Material for High Voltage Lithium-Ion Batteries

Ni-rich layered cathode materials are progressively considered as the standard configuration of high-energy electric vehicles by virtues of their high capacity and eliminated “range anxiety.” However, the poor cyclic stability and severe cobalt supply crisis would restrain their wide commercial applicability. Here, a cost-effective single-crystal Co-free Ni-rich cathode material LiNi 0.8 Mn 0.18 Fe 0.02 O 2 (NMF), which outperforms widely commercial polycrystalline LiNi 0.83 Co 0.11 Mn 0.06 O 2 (MNCM) and single-crystal LiNi 0.83 Co 0.11 Mn 0.06 O 2 (SNCM) is reported. Surprisingly, NMF can compensate for the reversible capacity loss under the designed conditions of high-temperature and elevated-voltage, achieving a competitive energy density compared with conventional MNCM or SNCM. Further, combining operando characterizations and density functional theory calculation, it is revealed that NMF cathode with improved dynamic structure evolution largely alleviates the mechanical strain issue commonly found in Ni-rich cathode, which can reduce the formation of intragranular cracks and improve the safety performance. Consequently, this new Co-free NMF cathode can achieve a perfect equilibrium between material cost and electrochemical performance, which not only reduces the production cost by >15%, but also demonstrates excellent thermal stability and cycling performance.

25 ENERGY STORAGE↗
DOE OSTI2022

Perspective—Is Sustainable Electrowinning of Neodymium Metal Achievable?

Rare–earth metals such as neodymium are central to numerous technologically important applications such as electrified transportation, renewable energy harvesting, and magnetic data storage. Presently, neodymium metal is produced via electrolysis of Nd 2 O 3 –containing NdF 3 –LiF molten salts at high temperatures. However, this conventional electrolytic route has several drawbacks including emissions of greenhouse gases such as CO 2 and perfluorocarbons, which are harmful to the environment. In this perspective, an alternate concept based on electrolysis of NdCl 3 –containing chloride–based molten salts is explored and its potential advantages are discussed. Notably, NdCl 3 can be obtained via direct non–carbothermic chlorination of Nd 2 O 3 , supported by thermodynamic calculations and experimental evidence from literature. The chloride–based molten salt electrolysis route also offers the possibility of incorporating a non–consumable or dimensionally stable anode leading to reduced electrical energy consumption, stable cell operation and ease of process scalability.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Energy Efficient Waste Heat Coupled Forward Osmosis for Effluent Water Management at Coal-Fired Power Plants

This project sought to evaluate the technical and economic viability of the Aquapod©, a transformational low energy (<200 kJ/kg water) waste heat coupled forward osmosis (FO) technology, to manage effluents, meet cooling water demands, and achieve water conservation in a coal-fired power plant environment. The Aquapod© process is innovative because it is heat-driven, avoids the evaporation of water, and uses no toxic chemicals such as ammonia or amines. The Aquapod© process accomplishes this using an aqueous two-phase system (ATPS) coupled FO process. The evaluation revealed that the Aquapod© process offers a pathway to exploit waste heat resources within a power plant to achieve flue-gas desulfurization (FGD) wastewater volume reduction and water recovery with minimal pretreatment. Water recovery of 80% from FGD wastewater was achieved with minimal pretreatment, exceeding the project target of 50%. The estimated electrical energy of 2.16 kWh/m 3 of water produced for the Aquapod© process met the project target of < 3.6 kWh/m 3 . The heat required for the process operation was approximately 186 kJ/kg of produced water, which was slightly lower than the project target of 200 kJ/kg. The estimated treatment cost for installing and operating the Aquapod© process in conjunction with a spray dryer evaporator to achieve zero-liquid discharge (ZLD) of the 100 gpm FGD wastewater was $13.24/m 3 over a 30-year lifetime. As a point of reference, this study’s host power plant currently incurs a cost of $3.70/m 3 – $8.87/m3 on a discharged volume basis to discharge its wastewater into the publicly owned treatment works (POTW) after physical-chemical treatment. Therefore, the Illinois power plant would incur an incremental cost increase of $4.37/m 3 – 9.54/m 3 to achieve ZLD using the Aquapod© and spray dryer combination. Ample opportunities exist to further lower the ZLD capital and operating costs in the next design iteration to attain pipe parity at the higher end of the site treatment costs.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2022

Allocation Mechanisms in Rationed Markets

Economic theory has come to play an important role in power system operations through the design of wholesale markets that are central to their operation. Furthermore, transactive energy places economic theory as a cornerstone in its operational concept as it seeks to integrate the technical needs of the power system with the preferences of its participants. Traditionally the mechanism employed is the continuous double-auction but de-pending on the circumstances the power system find itself in, this mechanism may or may not be the most appropriate, i.e. a one-size fits all market institution cannot be recommended without regard for the features of the underlying trading environment. This paper seeks to explain the economic rationale that guides the choice of a market institution and takes recourse to a theoretical demonstration in the context of a rationed power system scenario where demand exceeds generation (due to any number of events such as outages, microgrid operation, etc) and electrical energy must be rationed to better understand which types of mechanisms are most appropriate.

transactive energy, power system economics, econom↗
DOE OSTI2023

Lead-free Zr-doped ceria ceramics with low permittivity displaying giant electrostriction

Electrostrictors, materials developing mechanical strain proportional to the square of the applied electric field, present many advantages for mechanical actuation as they convert electrical energy into mechanical, but not vice versa. Both high relative permittivity and reliance on Pb as the key component in commercial electrostrictors pose serious practical and health problems. Here we describe a low relative permittivity (<250) ceramic, Zr x Ce 1-x O 2 (x < 0.2), that displays electromechanical properties rivaling those of the best performing electrostrictors: longitudinal electrostriction strain coefficient ~10 -16 m 2 /V 2 ; relaxation frequency ≈ a few kHz; and strain ≥0.02%. Combining X-ray absorption spectroscopy, atomic-level modeling and electromechanical measurements, here we show that electrostriction in Zr x Ce 1-x O 2 is enabled by elastic dipoles produced by anharmonic motion of the smaller isovalent dopant (Zr). Unlike the elastic dipoles in aliovalent doped ceria, which are present even in the absence of an applied elastic or electric field, the elastic dipoles in Zr x Ce 1-x O 2 are formed only under applied anisotropic field. The local descriptors of electrostrictive strain, namely, the cation size mismatch and dynamic anharmonicity, are sufficiently versatile to guide future searches in other polycrystalline solids.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Climate-Driven Divergence in Biophysical and Economic Impacts of Agrivoltaics

Increasing global demands for food and energy necessitate innovative land-use solutions. Agrivoltaics, colocating solar photovoltaics with agriculture, shows promise, but its widespread adoption faces complex biophysical and economic trade-offs in a changing climate. Here, we develop an integrated biophysical-economic modeling framework to quantify how agrivoltaics affect biophysical and economic impacts across the Midwestern United States under both current and project climate conditions. We find strong regional divergences driven by climate gradients. In the humid eastern Midwest, solar panel shading limits photosynthesis, leading to reduced yields (maize -24%; soybean -16%) and lower farmers' profitability (maize -16%; soybean -2%) compared to conventional agriculture. Conversely, in the semiarid western region, shading alleviates heat and water stress, moderating yield reductions for maize (-12%) and even boosting soybean yields (+6%), resulting in improved economic returns (-6% for maize; +9% for soybean), for a scenario with 33% photovoltaic ground coverage ratio. Although agrivoltaics generate substantial electrical energy across all regions, high upfront installation costs challenge solar developers compared to standalone solar photovoltaics. However, our analysis identifies “win-win” opportunities where soybean-based agrivoltaics in the semiarid region produce economic benefits for both farmers and solar developers, highlighting the necessity for region-specific designs tailored to local climate conditions. Critically, future climate projections indicate eastward expansion of semiarid conditions, broadening areas where agrivoltaics can mitigate crop yield penalties (even boosting yield) and improve overall profitability, especially under high-emission scenarios. The results provide a mechanistic and economically integrated understanding essential for developing evidence-based and region-specific strategies to scale agrivoltaics in a changing climate.

14 SOLAR ENERGY↗
DOE OSTI2023

Fundamental mechanistic insights into the catalytic reactions of Li-S redox by Co single-atom electrocatalysts via operando methods

Lithium-sulfur batteries represent an attractive option for energy storage applications. A deeper understanding of the multistep lithium-sulfur reactions and the electrocatalytic mechanisms are required to develop advanced, high-performance batteries. We have systematically investigated the lithium-sulfur redox processes catalyzed by a cobalt single-atom electrocatalyst (Co-SAs/NC) via operando confocal Raman microscopy and x-ray absorption spectroscopy (XAS). The real-time observations, based on potentiostatic measurements, indicate that Co-SAs/NC efficiently accelerates the lithium-sulfur reduction/oxidation reactions, which display zero-order kinetics. Under galvanostatic discharge conditions, the typical stepwise mechanism of long-chain and intermediate-chain polysulfides is transformed to a concurrent pathway under electrocatalysis. In addition, operando cobalt K-edge XAS studies elucidate the potential-dependent evolution of cobalt’s oxidation state and the formation of cobalt-sulfur bonds. Our work provides fundamental insights into the mechanisms of catalyzed lithium-sulfur reactions via operando methods, enabling a deeper understanding of electrocatalysis and interfacial dynamics in electrical energy storage systems.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Energy Storage Analysis

This study presents a comprehensive techno-economic characterization of energy storage and exible low carbon power generation technologies that can shift energy across days, weeks, or months to balance daily, weekly, and seasonal disparities in supply and demand. Energy storage technologies evaluated here include pumped hydropower storage (PHS), adiabatic and diabatic compressed air energy storage (CAES), vanadium redox flow batteries (VRBs), pumped thermal energy storage (P-TES), and renewably produced hydrogen stored in either geologic formations or underground pipes with re-electrification via combustion turbines in combined cycles, stationary proton exchange membrane (PEM) fuel cells, or the novel use of PEM fuel cells designed for heavy-duty vehicles (HDVs) which are expected to have shorter lives but also lower capital costs. We also evaluate flexible low-carbon power generation systems, including ethanol combustion in gas turbines and natural gas combustion with carbon capture and sequestration (CCS). We estimate current costs with literature data, use learning rates to characterize future costs, and develop capacity factors calibrated to an 85% renewables grid to calculate the levelized cost of energy (LCOE) of each technology. Results illustrate that at the 12-hour storage duration, PHS and CAES have the lowest LCOE with current costs, and VRBs become competitive if future costs are achieved. At the 120-hour storage duration, hydrogen systems with geologic storage and natural gas with CCS achieve the lowest LCOE in both current and future capital cost scenarios. In particular, the new configuration of HDV-PEM fuel cells with hydrogen storage in geologic formations evaluated here could lower the LCOE by 22-27% compared to stationary fuel cell systems typically evaluated and might help enable very high (>80%) renewable energy electric power systems. P-TES and hydrogen stored in underground pipes are the least-cost options at the 120-hour storage duration rating that do not require some form of geologic storage. Sensitivity analysis and Monte Carlo analysis illustrate that the general trends seen in this study are valid for a wide range of capacity factors and future cost scenarios. The study also illustrates that coproducing and selling hydrogen to other markets could reduce the LCOE of hydrogen systems by up to 39%.

carbon capture and sequestration↗
DOE OSTI2025

Electrochemical CO 2 Capture by a Quinone-Based Covalent Organic Framework

Electrochemical CO 2 capture is an emerging technology that promises to be more energy-efficient than traditional thermal or pressure-swing processes. Herein, the first evidence of electrochemical capture of CO 2 using a covalent organic framework (COF) is presented. We hypothesized that the assembly of anthraquinone units into a well-defined porous framework electrode would lead to enhanced electrochemical CO 2 capture compared to previous approaches that grafted anthraquinones on carbon supports and suffered from low CO 2 capacities and stabilities. To test this, an anthraquinone-based COF is employed, and it is found that the quinones are electrochemically accessible for reversible CO 2 capture in an ionic liquid electrolyte. The system achieves a high electrochemical CO 2 uptake capacity >2.6 mmol g –1 COF, reaching half of the theoretical CO 2 capacity of the material and surpassing the capacities of anthraquinone-functionalized carbons. The stability and CO 2 uptake rate issues encountered with the ionic liquid system are also addressed by using aqueous electrolytes where we attained stable carbon capture for 500 cycles with a 99.6% Coulombic efficiency and an electrical energy consumption of 31 kJ mol CO 2 –1 . The use of covalent organic framework electrodes can become a general strategy for understanding and enhancing the electrochemical CO 2 capture.

carbon capture and storage↗