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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 307 records · Page 17

Nanoscale Confinement of Photo-Injected Electrons at Hybrid Interfaces

A prerequisite for advancing hybrid solar light harvesting systems is a comprehensive understanding of the spatiotemporal dynamics of photoinduced interfacial charge separation. Here, we demonstrate access to this transient charge redistribution for a model hybrid system of nanoporous zinc oxide (ZnO) and ruthenium bipyridyl chromophores. The site-selective probing of the molecular electron donor and semiconductor acceptor by time-resolved X-ray photoemission provides direct insight into the depth distribution of the photoinjected electrons and their interaction with the local band structure on a nanometer length scale. Our results show that these electrons remain localized within less than 6 nm from the interface, due to enhanced downward band bending by the photoinjected charge carriers. This spatial confinement suggests that light-induced charge generation and transport in nanoscale ZnO photocatalytic devices proceeds predominantly within the defect-rich surface region, which may lead to enhanced surface recombination and explain their lower performance compared to titanium dioxide (TiO 2 )-based systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Steep sulfur gradient in CZTSSe solar cells by H 2 S-assisted rapid surface sulfurization

Sulfur/selenium grading is a widely used optimization strategy in kesterite thin-film solar cells to obtain a bandgap-graded absorber material and to optimize optical and electrical properties of the solar-cell device. In this work, we present a novel approach to introduce a [S]/([S] + [Se]) grading for Cu 2 ZnSn(S,Se) 4 solar cells. In contrast to commonly used methods with slow process dynamics, the presented approach aims to create a fast sulfurization reaction on the surface of pure selenide kesterite absorbers by using highly reactive H 2 S gas and high sulfurization temperatures in a rapid flash-type process. With a combination of X-ray photoelectron spectroscopy, X-ray emission spectroscopy, Raman spectroscopy, and Raman-shallow angle cross sections spectroscopy, we gain depth-varied information on the [S]/([S] + [Se]) ratio and discuss the impact of different process parameter variations on the material and device properties. The results demonstrate the potential of the developed process to generate a steep gradient of sulfur that is confined mainly to the surface region of the absorber film.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A data-driven network optimisation approach to coordinated control of distributed photovoltaic systems and smart buildings in distribution systems

The increasing integration of distributed energy resources, including demand-side resources and distributed photovoltaics (PVs), into distribution systems has resulted in more complicated power system operation. A data-driven network optimisation approach is proposed to coordinate the control of distributed PVs and smart buildings in distribution networks considering the uncertainties of solar power, outdoor temperature and heat gain associated with building thermal dynamics. These uncertain parameters have a significant impact on the operation and control of distributed PVs and smart buildings, bringing challenges to the distribution system operation. In the proposed data-driven distributionally robust optimisation (DRO) approach, the Wasserstein ball is used to construct an ambiguity set for the uncertain parameters, which does not require the probability distributions to be known. Furthermore, a conditional value-at-risk is incorporated into the Wasserstein-based DRO model and converted into a computationally tractable mixed-integer convex optimisation problem. Benchmarked with robust optimisation and chance-constrained programming, the proposed data-driven model can give a less conservative robust solution.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Characterization of Interconnects

Combined-accelerated stress testing (C-AST) simultaneously combines stress factors of the natural environment (including UV radiation, temperature, humidity, electrical current, and external mechanical force) into a single test that requires fewer modules, fewer chambers, and makes it possible to discover weaknesses in new designs that are not known a-priori. C-AST reduces risk, accelerates time to market, and improves bankability by reducing costly overdesign using test levels not exceeding those seen in the natural environment. This project seeks to evaluate strengths and weaknesses of modern cell interconnect designs with combined-accelerated stress testing (C-AST) to screen multiple climates along with finite element and failure analysis to determine the potential for a 50-year life. Supporting this, we seek to develop methods of characterization to assess the degradation of interconnects, enable predictive rate models with material forensics and FEA and show C-AST's ability to find interconnect failures and benchmark it relative to other accelerated stress test methods like temperature cycling and cyclic dynamic mechanical loading. Examples of modern interconnect designs covered are Canadian Solar Hetero Technology ribbon enabling closer cell interconnections, SmartWire (eg. Meyer-Berger technology), and shingled cells with new interconnect materials.

C-AST↗

Thermal and electric multidomain dynamic model for integration of power grid distribution with behind-the-meter devices

As renewable energy sources like solar and wind power become more integrated into the grid, coordinated control of behind-the-meter devices is crucial for enhancing grid flexibility and reliability and for meeting cost targets, with standardized models being developed to support this transition. The increasing flexibility and uncertainty of integrated renewable energy grids, along with interactions between various subsystems, make traditional steady-state modeling insufficient to capture transient and dynamic behaviors. Current models (e.g., composite load and battery equivalent models) focus on thermodynamic or electrical characteristics but overlook critical electromechanical interactions. This limits the ability to share performance information for grid services and hampers fast dynamic simulations. In addition, motor stalling is usually triggered by a fault event and attributed to the characteristics of the mechanical torque of the motor, resulting in absorption of a large amount of reactive power during the stalling period. Further, this significant withdrawal of reactive power will deteriorate the dynamic voltage stability of power grids and cause delayed voltage recovery. Therefore, an in-depth modeling of the thermodynamics or mechanical torque is essential to study the impacts of the realistic torque characteristics of those behind-the-meter devices on power system voltage stability. This study developed a dynamic multidomain model for building HVAC systems, such as air-source heat pumps, to simulate their thermal and electrical responses to grid transients. The model can accurately predict power metrics with a mean absolute percentage error of 10%, by validating against with power system computer-aided design performance data. Case studies demonstrate the model capability of capturing the transient response to sudden voltage changes, rapid load fluctuations, and system shutdowns respectively. During a sudden voltage drop (30% for 0.1s), a fully loaded heat pump’s motor speed dropped, continued declining, and shut down after 3.6s, with severe power oscillations and a torque spike. A partially loaded unit experienced temporary oscillations but stabilized. Under higher building loads, compressor speed increased from 64% to 100%, with power and torque rising before stabilizing. In safety-triggered shutdowns, power decreased after minor fluctuations, and torque briefly spiked before dropping to zero.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Realistic Estimation of CO2 Emission Reductions Due to Building Retrofit

Constant CO2 emission factors of electricity are often used to study the emissions of buildings. However, in the era of increased renewable energy for power generation, emission factors of electricity are dynamically changing. This study is to investigate the impact of dynamic CO2 emission factors, which are more realistic than constant ones, on the emission reductions due to building retrofits. The results reveal that if dynamic CO2 emission factors are used for U.S. medium office buildings, improving the efficiency of lighting or electric equipment will lead to more emission reductions in locations with high wind power penetration (e.g., 12% more reductions in Rochester) and fewer reductions in locations with high solar power penetration (e.g., 8% fewer reductions in San Diego). As for improving envelope insulation, dynamic CO2 emission factors have more impact on the emission reductions in hot climates than in cold climates.

Lou, Yingli↗

Ligand-Structure-Dependent Coherent Vibrational Wavepacket Dynamics in Pyrazolate-Bridged Pt(II) Dimers

Bimetallic transition metal complexes have gained increasing attention because of their versatile functions in solar energy conversion and photonics applications arising from inter-metal electronic coupling. In bimetallic platinum (Pt) complexes, electronic communication between the Pt-centered and ligand-centered moieties have been shown to be critical for defining their excited-state dynamic trajectories undergoing either localized ligand centered (LC)/metal-to-ligand-charge-transfer (MLCT) transitions or delocalized metal-metal-to-ligand-charge-transfer (MMLCT) transitions. The branching of the excited-state intersystem crossing (ISC) trajectories are modulated through structural factors that alter the relative energies of the different states. In this study, we investigated the correlation of the structural factors influencing the excited state trajectories. Using femtosecond broadband transient absorption (fs-BBTA) spectroscopy, ultrafast dynamics in the excited state of two select Pt(II) dimers have been mapped out using their coherent vibrational wavepacket signatures in corresponding transient absorption spectra. To examine how the ligand moieties of the Pt(II) dimers influence excited-state dynamics and the coherent vibrational wavepacket behavior, here we carried out comparative studies on two pyrazolate-bridged Pt(II) dimers of the general formula [Pt( t Bu 2 Pz)(N^C)] 2 ( t Bu 2 Pz = 3,5-di-tert-butylpyrazole); N^C = 7,8-benzoquinoline (bzq, 1) or 1-phenylisoquinoline (piq, 2)). We found that photoexcitation into the low energy absorption bands of 1 and 2 respectively induce the formation of 1 MMLCT states from which ultrafast ISC proceeds, resulting in stimulated emission quenching and decoherence of the vibrational wavepacket motions. The results obtained in this study suggest that both energetics and the structural rigidity of the aromatic cyclometalating ligands in 1 and 2 can significantly influence dynamics along the excited state trajectory characterized by dephasing of the coherent oscillations. The collective results provide direct evidence of how ligand structure alters electronic dynamics along excited state trajectories associated with ISC processes, providing insight into using ligand design to steer photochemical processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Developing a Reduced 240-Bus WECC Dynamic Model for Frequency Response Study of High Renewable Integration

The ongoing changes in the generation resource mix, driven by the rapid adoption of inverter-based resources (IBR) as well as the early retirement of synchronous generators, are bringing new challenges to the planning and operation of bulk electric power systems. Consequently, there is an increasing need to understand, design, and quantify the reliability service provision from IBRs by performing integrated scheduling and dynamic simulations. However, test systems that have consistent scheduling and dynamic models rarely exist largely because of the decoupled nature of the two simulations on a synchronous generator-dominated system. This paper develops the dynamic model of a reduced Western Electricity Coordinating Council (WECC) system. In conjunction with the existing scheduling model, it is suitable for integrating scheduling and dynamic simulations. The reduced 240-bus WECC model reflects the generation resource mix of the Western Interconnection as of 2018. Moreover, the developed dynamic model is validated against field frequency events measured by FNET/GridEye and preserves the dominant inter-area oscillation mode in WECC.

dynamic simulation↗

Exciton-Phonon Coupling and Carrier Relaxation in PbS Quantum Dots: The Case of Carboxylate Ligands

Some ligand-nanocrystal combinations exhibit rapid cooling of highly excited electronic states while other nanocrystal/shell combinations do not appear to have this effect. There remains a need to identify the distinguishing properties of ligand-nanocrystal interactions that avoid such rapid relaxation processes to guide the design of colloidal quantum dots (QDs) that take advantage of multiple exciton generation or hot-carrier extraction processes. Here, we use mid-infrared transient absorption spectroscopy to investigate the influence that carboxylate ligands with distinct excited state surface chemistries has on exciton-phonon coupling and hot exciton relaxation in PbS quantum dot (QD) films. Our findings reveal that despite significant differences in the excited state surface chemistry of oleate (OA) and iodide/mercaptopropionic acid (I-/MPA) ligands, PbS QD films passivated with both ligand types exhibit identical electronic relaxation rates and exciton-phonon coupling strengths within experimental precision. The data suggest that the inorganic lattice is the principal source of exciton-phonon coupling that influences hot exciton relaxation, rather than the vibronic modes of carboxylate ligands. The size-dependent nature of the exciton-phonon coupling strength is consistent with the localization of charge on the QD surfaces, which enhances the mixing of electronic and nuclear coordinates particularly when the electronic states are more quantum confined in smaller nanocrystals.

14 SOLAR ENERGY↗

Simulating Magnetic Reconnection in ‘Two Ribbon’ Type Solar Flares

Magnetic reconnection is an astrophysical process where neighboring magnetic field lines, facing anti-parallel, are reconfigured. This reconfiguration results in built up magnetic energy being explosively released as it is being converted to plasma kinetic and thermal energies. There are various kinds of simulations used to simulation reconnection; our work begins with Athena++, a magnetohydrodynamic (MHD) simulation code typically used for astrophysical problems, and a reconnection specific code file. The resistive MHD equations are solved with Riemann solvers. There was an initial test run without modifying the code to understand the dynamics of the simulation. We expand on the original reconnection problem file by implementing a radiative cooling term specific to the corona. The radiative cooling is theorized to have an effect on solar coronal plasma and magnetic reconnection dynamics. The cooling term will be tested with various parameters and compared to the case without cooling to study these dynamics. The condensation found in only the with cooling case emphasizes the importance of implementing this feature and will be later tested with a thermal conduction term. We want to determine the parameter regime where non-equilibrium cooling will be important for the reconnection dynamics.

79 ASTRONOMY AND ASTROPHYSICS↗

Interplay of structural fluctuations and charge carrier dynamics is key for high performance of hybrid lead halide perovskites

The ability of methylammonium lead triiodide (MAPbI 3 ) to achieve photoelectric conversion efficiency that is on par with crystalline silicon has led to a surge of interest in perovskite photovoltaics. However, an in-depth understanding of how the ubiquitous coupling between the fast rovibrational movements of the organic cations and the phonon vibrations of the inorganic framework affects the relaxation and recombination of hot carriers remains largely elusive. Access to such knowledge is critical to guide design and increase efficiency of new classes of perovskite solar cells. In this report, we report a time-domain ab initio investigation of temperature dependent excited state dynamics in MAPbI 3 , with particular emphasis on nuclear anharmonic effects. The observed strong anharmonicity is attributed to softness of the material and unusual dynamical coupling between the organic and inorganic components. At an elevated temperature, the hydrogen bonding between MA and iodines is weakened, enhancing rotation of MA cations, which become more dynamically disordered. As a result, thermal vibrations of the inorganic Pb–I sublattice are suppressed, and the lattice anharmonicity is decreased. Thermal fluctuations of the electronic energy levels are found to follow the trend of anharmonic motions of Pb and I atoms, with holes relaxing faster to the band edges than electrons, due to higher density of the hole states. While elevated temperature accelerates intraband carrier cooling, it slows nonradiative carrier recombination. The latter result is important for performance, since solar cells and other devices heat up during operation. The reported signatures of coupled structural dynamics of the organic cations and inorganic framework unravel the interplay between anomalous structural fluctuations and charge carrier dynamics, which is of particular importance for fundamental understanding of the structure–property relationships in hybrid metal halide perovskites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Dynamics and Instabilities of a Plasma Blob in Curved Magnetic Geometries [Slides]

Blobs are filament-like structures within a bulk plasma. They move radially outward in curved magnetic fields, across magnetic field lines. They account for significant amount of transport at plasma edge in tokamaks and are found in tokamaks, solar coronal filaments, planetary magnetospheres, and high altitude nuclear explosions. MHD offers some analytical descriptions of blob dynamics. In a curved geometry such as our cases of interest charged particles are subject to curvature drift, grad B drift, and E x B drifts.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Progressing Analysis of Variable Electric Rates (PAVER) Study

The Progressing Analysis of Variable Electric Rates (PAVER) study analyzed the impact of a range of time-varying electric rates on the performance of a regional electric grid and the resulting costs for participating and non-participating customers. This analysis leveraged and extended the work of PNNL’s Distribution System Operator with Transactive (DSO+T) study. Five different rate designs were included: a flat volumetric energy charge, a typical Time of Use (TOU) rate, a dynamic energy (DE) rate (based on wholesale locational marginal prices), a dynamic energy and capacity (DE+C) rate, and, finally, a Block and Swing (B&S) rate that billed customers based on their average load profile at constant pricing, but used the DE+C dynamic price for load deviations from their average profile. These rates were analyzed in a large-scale co-simulation of an entire regional grid with a customer population representative of the current state. A large fraction (80%) of residential and commercial customers were assumed to participate in these time-varying rates with automatically controlled HVAC, water heaters, electric vehicles, and batteries. This study assumed no industrial sector participation. The DE and DE+C rates saw system peak loads reduced by 6-7%, while the large participation in the TOU rate case saw a significant rebound effect and a resulting peak load increase of >5%. The impacts to the annual and peak system demand impacted system wholesale prices and the overall grid operating costs. This cost structure determined the revenue needed to be collected from customers by each rate design. Participating customers on the DE and DE+C rates (located in one of the modeled DSOs) saw reductions in average annual electricity bills of 11-17% with average increases in monthly bill variation of no more than 13%. At such high participation levels, TOU customers saw 10% higher average annual bills (due to system-wide rebound effects) and average increased monthly bill variation of 16%. Residential owners of large flexible loads (such as electric vehicles) saw larger bill savings (17-20%) when on a fully dynamic rate. The presence of on-site generation (such as rooftop solar) did not appear to appreciably change customer outcomes. Customers on the Block and Swing rate did see 6% lower monthly bill variation (as intended) than the flat rate case, but at the expense of appreciable bill savings, which were only 3%, comparable to the savings seen by non-participants. Given this finding we recommend that additional research be conducted into how best various bill protection mechanisms can balance minimizing customer bill variation with providing financial incentives commensurate with the flexibility customers provide. We also recommend that customer outcomes be explored across a range of regions using current actual customer and system cost data.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Prototype Modeling for a Light-Trapping Planar-Cavity Enclosed Particle Solar Receiver

Concentrating solar thermal (CST) systems present a promising avenue for affordable and reliable energy production. Solar receivers are key components that determine the efficiency and longevity of these systems. Particle-based solar receivers have emerged as a compelling alternative to traditional technologies, offering several advantages that address limitations in current CST systems. This is especially true as next-generation CST technologies target applications including electricity generation, thermochemical processes, and industrial process heat, many of which necessitate higher operating temperatures than current commercial molten salt systems. Molten-salt thermal energy storage (TES) systems, commonly used in CSP, face challenges related to freezing and corrosion. Particle-based TES systems, in contrast, do not experience these issues, as particles are stable at high temperatures, exceeding 1000 degrees Celsius. This capability allows for a wider range of applications, including those requiring higher temperatures for industrial processes and efficient electricity generation. A novel innovation in particle-based solar receiver technology is the light-trapping planar cavity receiver (LTPCR) configuration developed by NREL. The LTPCR design consists of small cavity-like structures using opaque planar surfaces, enabling efficient capture and absorption of solar energy. A high incident flux concentration at the cavity aperture is absorbed on the receiver walls, and subsequently transferred to particles on the inside of cavities. The particles flow through the system, forming a fluidized bed inside of the receiver panels, effectively capturing the absorbed solar heat. Air is used as a fluidizing medium in this process to enhance particle heat transfer and mixing. The effectiveness of this design lies in its ability to manage solar flux conditions and ensure high solar-to-thermal receiver efficiency. A 100-kW prototype is currently being tested at the King Saud University in Saudi Arabia to assess the receiver performance. A range of modeling analyses for the optical, thermal, and mechanical effects were conducted to assess the performance of the receiver under on-sun conditions. The solar flux resulting from the KSU heliostat field was modeled using NREL SolTrace software and produced up to 600 kW/m2 at the receiver aperture. The solar flux absorbed on the receiver walls was then used within a computational fluid dynamics (CFD) model to predict wall temperature distributions along with radiation and convection loss. A two-phase CFD model was developed for the fluidized bed of silica sand inside the receiver panels to predict local wall-to-particle heat transfer coefficients, particle temperature distributions, and outlet temperature of the particles. We have also conducted analyses to understand the thermomechanical behavior of these innovative enclosed light-trapping solar receivers optimized for particle heating. We used finite element analysis (FEA) to predict the receiver's performance using temperature distributions obtained from CFD and based on the resulting stress profiles, evaluated creep-fatigue damage with a goal of achieving a 30-year service life. Analysis showed a significant impact of the particle-to-wall heat transfer coefficients (HTCs) on receiver performance, with higher HTCs resulting in reduced stress and increased lifespan. For instance, when using Inconel 740H, increasing the HTC from 800 W/m2 K to 1400 W/m2 K increased the creep life from 4,000 hours to over 100,000 hours. This highlights the importance of understanding and optimizing heat transfer in the design of high-efficiency receivers.

14 SOLAR ENERGY↗

Bidentate Lewis bases are preferred for passivation of MAPbI 3 surfaces: A time-domain ab initio analysis

We report chemical passivation is a predominant approach to inhibit intrinsic defects responsible for electron–hole recombination in perovskite solar cells. Using time-domain density functional theory combined with nonadiabatic molecular dynamics, we demonstrate defect passivation by separation of electrons and holes in metal halide perovskites (MHPs), and show that bidentate ligands exhibit the best performance. Defects in traditional semiconductors create deep midgap states, and passivation eliminates these states. In contrast, common defects produce no deep midgap states in MHPs. Instead, defects localize electrons and holes around defect sites, enhancing electron–hole interaction. Defect passivation in MHPs acts to separate charges, decreasing electron–hole and charge–phonon interactions, and increasing charge lifetimes. Bidentate ligands work best, because they can passivate both unsaturated chemical bonds created due to vacancy defects. Bidentate ligands with spatially separated binding sites are preferred, since they provide better match to the sparse inorganic lattice of MHPs. Similar to the Lewis base ligands, water also acts as a ligand and extends charge lifetimes, with the oxygen atom donating its lone electron pair to the defect site. However, water accelerates chemical degradation of MHPs. The binding energy of most ligands is larger than that of water, and therefore, the ligands displace water, increase MHP stability and prolong carrier lifetimes. The established physical mechanism of defect passivation, and the specific principles guiding the choice of passivating molecules advance our understanding of the exceptional properties of MHPs and suggest routes for further improvement of MHP performance in solar energy and optoelectronic applications.

36 MATERIALS SCIENCE↗

Controllable Solar Flux Heating for Freeze Recovery in Molten Salt Parabolic Trough Collectors

In molten-salt parabolic trough plants, the melting process is particularly important for freeze recovery of salt that is solidified in a collector loop, should such an event occur. Currently impedance heating is expected for freeze recovery of the collector loops, but this method can be expensive. Here, a lower-cost alternative is proposed to use controllable concentrated solar flux directly from the parabolic mirrors to thaw salt that is frozen in the collector. A computational fluid dynamics model was developed to explore the solidification and melting processes of molten salt in a parabolic trough receiver and to assess the viability of this concept. Results indicate that concentrated solar heating has the potential to melt frozen salt in 5.6 h, compared to that in 8.8 h for a 300 W m –1 impedance heating system. At the same time, controllable solar flux heating introduces nonuniform solar fluxes on the receiver surface, which can induce significant thermal stress on the receiver tube. A preliminary stress analysis indicates that the temperature difference across the receiver tube should be maintained below about 70 °C for heating up to 300 °C at internal pressures ≤10 bar. At these conditions, freeze recovery using solar flux heating will not significantly affect receiver lifetime. These results suggest that controllable solar flux heating could effectively supplement or replace impedance heating in the freeze recovery system. Incorporating this methodology in future parabolic trough concentrating solar power plants is an opportunity for capital and operational cost-savings.

14 SOLAR ENERGY↗

Report on High-Fidelity Dynamic Modeling of a Coal-Fired Steam Power Plant

As a result of the growth of renewables including solar and wind energy with fluctuating production, fossil fuel power plants are being required to cycle between high and low power production. This cycling is both at a greater frequency and over a wider range than in the past. In many cases, power plants are not designed for this type of cycling operation but can nonetheless endure these challenging operation requirements under the right conditions. In this project, optimal solution for enhanced flexible operations are being investigated using model based estimation and control techniques. To support the development of model-based estimator and model-based controls at GE Global Research, GE Steam Power configured a dynamic model using a reference steam plant design including the boiler, turbine, and water/steam conditioning systems as well as the controls needed for plant cycling with stability and reliability. The dynamic model was built using the APROS® software from VTT, and then calibrated to multiple load conditions from full load (100%TMCR) to partial loads (75%TMCR, 50%TMCR and 25%TMCR) based on internally developed steady state heat balance models at the unit level. These internal heat balance models are based on first principles and extensive engineering experiences from GE Steam Power as an OEM and a services provider. This topical report presents the structure of the unit level dynamic model, the tuning process, and representative simulation results from typical load cycling simulations using the dynamic model.

01 COAL, LIGNITE, AND PEAT↗