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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Trimerized small-molecule acceptors enable high-performance organic solar cells with high open-circuit voltage and prolonged life-time

Although the recent development of Y-series small-molecule acceptors (SMAs) has led to a dramatic increase in the power conversion efficiency (PCE) of organic solar cells (OSCs), the operational stability (device lifetime) of OSCs is inadequate for commercialization. In this study, we develop a new trimer acceptor (TYT), consisting of three Y-based molecules linked by electron-donating spacers, to realize an OSC with high-performance (PCE > 18%) and -stability (t 80% lifetime > 8000 h under 1 sun illumination, in which t 80% lifetime is the time required for the PCE of the OSC to reach 80% of its initial value). We demonstrate that the trimerization approach affords an acceptor, TYT, with an upshifted lowest unoccupied molecular orbital energy level, which, in turn, affords an efficient OSC with a high open-circuit voltage (0.964 V). In addition, the glass-transition temperature (T g ) of TYT (217 °C) is significantly higher than those of monomer (MYT, T g = 80 °C) and dimer (DYT, T g = 127 °C) acceptors, which effectively suppresses the molecular diffusion of TYT in a blend film with a polymer donor. Accordingly, a TYT-based OSC demonstrates a high PCE (18.2%) and long t 80% lifetime under 1 sun illumination (8454 h), outperforming MYT- and DYT-based OSCs that exhibit PCEs and t 80% lifetimes of 16.4% and 35 h, and 17.3% and 2551 h, respectively. Therefore, this study provides important guidelines for the design of electron acceptors in achieving OSCs with high performance and stability close to a commercial level.

14 SOLAR ENERGY↗
DOE OSTI2021

Exploring Transport Behavior in Hybrid Perovskites Solar Cells via Machine Learning Analysis of Environmental-Dependent Impedance Spectroscopy

Hybrid organic–inorganic perovskites are one of the promising candidates for the next-generation semiconductors due to their superlative optoelectronic properties. However, one of the limiting factors for potential applications is their chemical and structural instability in different environments. Herein, the stability of (FAPbI3)0.85(MAPbBr3)0.15 perovskite solar cell is explored in different atmospheres using impedance spectroscopy. An equivalent circuit model and distribution of relaxation times (DRTs) are used to effectively analyze impedance spectra. DRT is further analyzed via machine learning workflow based on the non-negative matrix factorization of reconstructed relaxation time spectra. This exploration provides the interplay of charge transport dynamics and recombination processes under environment stimuli and illumination. The results reveal that in the dark, oxygen atmosphere induces an increased hole concentration with less ionic character while ionic motion is dominant under ambient air. Under 1 Sun illumination, the environment-dependent impedance responses show a more striking effect compared with dark conditions. In this case, the increased transport resistance observed under oxygen atmosphere in equivalent circuit analysis arises due to interruption of photogenerated hole carriers. The results not only shed light on elucidating transport mechanisms of perovskite solar cells in different environments but also offer an effective interpretation of impedance responses.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Stable Supercapacity of Binder-Free TiO 2 (B) Epitaxial Electrodes for All-Solid-State Nanobatteries

Owing to its pseudocapacitive, unidimensional, rapid ion channels, TiO 2 (B) is a promising material for application to battery electrodes. In this study, we align these channels by epitaxially growing TiO 2 (B) films with the assistance of an isostructural VO 2 (B) template layer. In a liquid electrolyte, binder-free TiO 2 (B) epitaxial electrodes exhibit a supercapacity near the theoretical value of 335 mA h g –1 and an excellent charge–discharge reproducibility for ≥200 cycles, which outperform those of other TiO 2 (B) nanostructures. For the all-solid-state configuration employing the LiPON solid electrolyte, excellent stability persists. Our findings suggest excellent potential for miniaturizing all-solid-state nanobatteries in self-powered integrated circuits.

25 ENERGY STORAGE↗
DOE OSTI2026

TTDAQ: A Continuous Flow, Timing and Trigger DAQ System

Final Scientific/Technical Report for DOE Award DE-SC0019581, “TTDAQ: A Continuous Flow, Timing and Trigger DAQ System.” The report summarizes Telluric Labs’ Phase II STTR work developing silicon-photonic building blocks for a software-defined, continuous-flow, trigger-less data acquisition system for next-generation high-energy and nuclear-physics detectors. The project focused on radiation-hard photonic integrated circuits, remote optical illumination, dense wavelength-division multiplexing, and a differential microring-resonator transceiver architecture designed to improve high-speed optical link stability and bandwidth. The report describes project objectives, technical accomplishments, AIM Photonics tape-outs, bench characterization, radiation-hardness testing, deferred integration work, and potential applications beyond physics readout.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Large-Signal Stability of Phase-Balanced Equilibria in Single-Phase Grid-Forming Inverter Systems

This article explores the setup where large numbers of single-phase grid-forming inverters with droop control across distribution networks self-organize into a stable and balanced system with 120° phase offsets across aggregates in the absence of balanced three-phase generating resources or external communication. A suite of circuit- and system-theoretic notions are leveraged to derive a dynamical model for phase-angle differences across aggregates of inverters connected in the three phases. Focusing on this model, large-signal stability is established and the region of attraction of the phase-balanced equilibria is determined with the aid of a Lyapunov function. Experimental validation for a bench-top prototype network is included to support the analytical developments. Altogether, the effort supports the vision of facilitating balanced operation of distribution networks with grid-forming inverters during service disruptions at the bulk transmission network.

Droop control↗
DOE OSTI2025

Iodine’s Wild Ride Leading to Photoinstability in Halide Perovskite Solar Cells

Understanding processes that contribute to efficiency losses during long-term operation of perovskite solar cells is crucial for achieving operational stability. Although maximum power point tracking optimizes outdoor performance, it is not uncommon that devices are kept under open-circuit conditions during sunny hours. Under these conditions, charge carriers accumulate at the interfaces rather than flowing through the circuit. In the case of the MAPbI 3 /spiro-OMeTAD interface studied here, hole accumulation leads to formation of I2 and subsequent oxidation of spiro-OMeTAD. By employing in situ absorption measurements, we show that the decrease in power conversion efficiency follows the spiro-OMeTAD oxidation while operating the device under open-circuit conditions. In short-circuit conditions, where photogenerated charge carriers are extracted in the external circuit, the I 2 -induced oxidation of spiro-OMeTAD and the device instability are minimized. The photoinduced expulsion of iodine from MAPbI 3 into spiro-OMeTAD discussed in this work provides new insight into the photoinstability of perovskite solar cells.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Influence of voids on the thermal and light stability of perovskite solar cells

The formation of voids in perovskite films close to the buried interface has been reported during film deposition. These voids are thought to limits the efficiency and stability of perovskite solar cells (PSCs). Here, we studied the voids formed during operation in perovskite films that were optimized during the solution deposition process to avoid voids. New voids formed during operation are found to assemble along grain boundaries at the bottom interface, caused by the loss of residual solvent and conversion of amorphous phase to crystalline phase. Unexpectedly, the formation of these voids did not negatively affect the stability of PSCs. Decreasing the amorphous region in perovskites by thermal annealing decreased the positive iodide interstitial density, and improved the light stability of PSCs. The annealed devices maintained 90% of their initial efficiency and light soaking for 1900 hours at open circuit condition under 1-sun illumination at 50°C.

14 SOLAR ENERGY↗
DOE OSTI2023

Electrically driven amplified spontaneous emission from colloidal quantum dots

Colloidal quantum dots (QDs) are attractive materials for realizing solution-processable laser diodes that could benefit from size-controlled emission wavelengths, low optical-gain thresholds and ease of integration with photonic and electronic circuits. However, the implementation of such devices has been hampered by fast Auger recombination of gain-active multicarrier states, poor stability of QD films at high current densities and the difficulty to obtain net optical gain in a complex device stack wherein a thin electroluminescent QD layer is combined with optically lossy charge-conducting layers. Here we resolve these challenges and achieve amplified spontaneous emission (ASE) from electrically pumped colloidal QDs. The developed devices use compact, continuously graded QDs with suppressed Auger recombination incorporated into a pulsed, high-current-density charge-injection structure supplemented by a low-loss photonic waveguide. These colloidal QD ASE diodes exhibit strong, broadband optical gain and demonstrate bright edge emission with instantaneous power of up to 170 μW.

36 MATERIALS SCIENCE↗
DOE OSTI2022

High Performance Circuit Pastes for Solid Oxide Fuel Cell Applications: Final Technical Report

Using a combination of in-plane electrical conductivity measurements, electrical contact resistance measurements, tensile fracture tests, double shear lap fracture tests, rapid thermal cycling adhesion tests, in situ wetting angle measurements, 3D X-ray tomography, reduction-oxidation (RedOx) cycling, scanning electron microscopy (SEM), energy dispersive x-ray spectroscopy (EDAX), Density Functional Theory (DFT) modeling, Molecular Dynamics (MD) modeling, and Phase Field modeling, this project determined that a new brazing technique developed by the PIs (specifically the use of nickel particles to direct the wetting and spreading of molten silver) could be used to produce well-adhered, >97% dense, electrically-conductive circuits, current collectors, and/or electrical contacts on a variety of ceramic and ceramic-coated substrates (specifically lanthanum strontium manganite, yttria stabilized zirconia, sapphire, Cr2O3-passivated stainless steel, and Al2O3-passivated stainless steel). Compared to other silver-based alternatives, Ag:Ni led to less manufacturing defects and was more tolerant of the extreme environments (isothermal high-temperature aging) and occasional abuse (rapid thermal cycling and RedOx cycling) encountered during Solid Oxide Fuel Cell and/or Solid Oxide Electrolysis Cell operation. Further, in some situations (such as when to produce Ag:Ni electrical contacts to Al2O3-protected stainless steel) the Ni particles also improved operation by acting as chemical getters that removed electrically-insulating, surface-segregating substrate impurities (i.e. by lowering the contact resistance with the underlying substrate).

36 MATERIALS SCIENCE↗
DOE OSTI2025

Unified Model of Current-Limiting Grid-Forming Inverters for Large-Signal Analysis

Grid-forming (GFM) inverters can hardly withstand any overloading. As such, GFM inverters need a current limiter in their control system to avoid hardware damage during overloading or grid disturbances. When the current limiter is engaged for inverter protection, however, it dynamically changes the inverter output impedance, which can significantly affect the system behavior against large disturbances. For example, when the current limiter curtails the output power, the primary controller of the GFM inverter-which generates the voltage and angle reference-is prone to losing synchronization with the grid. This can cause large-signal instability in the network. This paper presents a unified GFM current-limiter model to gain a deeper understanding of the impact of the GFM inverter current limiting on large-signal instability and other system behaviors. The unified model captures several well-known current limiters for GFM inverters, and it reveals their large-signal equivalence characterized by the limiter angle. We use the unified model to present in-depth insights into the driving forces that cause large-signal instability in GFM inverter-driven grids. Further, this paper illustrates that the unified model can be used as a tool for assessing the system-level impacts of various GFM current-limiter designs during grid disturbances. Using numerical, analytical, electromagnetic transient models, and a hardware setup, the validity of the unified model is evaluated.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Design, Analysis, and Experimental Testing of Hydrogen Lean Direct Injection Nozzles at Elevated Pressure

Abstract There are many challenges of commissioning a hydrogen combustor into future gas turbine engines; especially regarding achieving emissions goals. Previously, Escudero et al. and Tran et al. conducted a study to adapt the liquid fuel Lean Direct Injection (LDI) concept from Jet-A to gaseous natural gas-hydrogen blends and pure hydrogen [1], [2]. Experimental data was collected at atmospheric conditions using a Box Behnken design of experiments. The design of experiments suggested that biasing the air split in favor of the inner air circuit and increasing the swirl strength of this inner air passage resulted in improved NOx emissions, while the inverse was true for stability, which was quantified by studying the lean blowoff point (LBO) [1], [2]. The trends revealed by the original experiment [1], [2] provided a design direction for further iterations of the experimental hardware. The study presented herein describes the further investigation of such LDI injectors through experimental methods and computational fluid dynamic (CFD) simulations at atmospheric conditions, which were used to identify potential flow behaviors driving enhanced emissions performance. Further evaluation of select injectors from both studies was then conducted at elevated pressures up to 6 atmospheres. The results from both experiments are presented in this study, which include flame observations, emissions measurements, and operational challenges. NOx emissions results are reported on a volume basis in ppmvd corrected to 15% O2 and corrected for fuel. A predictive model for relating NOx emissions to test conditions at atmospheric conditions show high significance to adiabatic flame temperature while little to no significance to fuel composition for the best performing configurations. The results illustrate the connection between atmospheric testing and testing elevated pressures. The design direction indicated by the initial tests and CFD results in promising configurations for implementation into a Multi-point LDI array.

08 HYDROGEN↗
DOE OSTI2025

Bounding entanglement entropy with Clifford double cosets

Following on our previous work studying the orbits of quantum states under Clifford circuits via reachability graphs, we introduce contracted graphs whose vertices represent classes of quantum states with the same entropy vector. These contracted graphs represent the double cosets of the Clifford group, where the left cosets are built from the stabilizer subgroup of the starting state and the right cosets are built from the entropy-preserving operators. We study contracted graphs for stabilizer states, as well as 𝑊 states and Dicke states, discussing how the diameter of a state's contracted graph constrains the entropic diversity of its two-qubit Clifford orbit. We derive an upper bound on the number of entropy vectors that can be generated using any 𝑛-qubit Clifford circuit, for any quantum state. Here, we speculate on the holographic implications for the relative proximity of gravitational duals of states within the same Clifford orbit. Although we concentrate on how entropy evolves under the Clifford group, our double-coset formalism, and thus the contracted graph picture, is extendable to generic gate sets and generic state properties.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Inverter-Based Power Systems From an Electric Circuit Perspective

This presentation reports a twin circuit theory that enables us to interpret power system dynamics from a electric circuit perspective. Our proposed twin circuit theory can roughly prove the dissipating energy flow (DEF) method, and shows the positive impacts of well-designed grid-forming (GFM) inverters on power systems stability.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Benzotriazole‐Based Nonfused Ring Acceptors for Efficient and Thermally Stable Organic Solar Cells

Abstract Nonfused ring acceptors (NFRAs) have attracted significant attention for nonfullerene organic solar cells (OSCs) owing to their chemical tunability and facile synthesis. In this study, a benzotriazole‐based NFRA with chlorinated end groups (Triazole‐4Cl) is developed to realize highly efficient and thermally stable NFRA‐based OSCs; an analogous NFRA with nonchlorinated end groups (Triazole‐H) is synthesized for comparison. Triazole‐4Cl film exhibits the high‐order packing structure and the near‐infrared absorption capability, which are advantageous in charge transport and light harvesting of the resulting OSCs. In particular, the strong crystalline behavior of Triazole‐4Cl results in enhanced self‐aggregation, leading to high charge carrier mobility. Owing to these properties, a PBDB‐T (polymer donor):Triazole‐4Cl OSC demonstrates a high short‐circuit current, fill factor, and power conversion efficiency (PCE = 10.46%), outperforming a PBDB‐T:Triazole‐H OSC (PCE = 7.65%). In addition, the thermal stability of a PBDB‐T:Triazole‐4Cl OSC at an elevated temperature of 120 °C exceeds that of a PBDB‐T:Triazole‐H OSC. This is mainly attributed to the significantly higher cold crystallization temperature of Triazole‐4Cl (205.9 °C). This work provides useful guidelines for the design of NFRAs to achieve efficient and thermally stable NFRA‐based OSCs.

Polymer Science↗
DOE OSTI2025

Explainable artificial intelligence relates perovskite luminescence images to current-voltage metrics

As the demand for low-cost, high-efficiency solar energy technologies grows, metal halide perovskite (MHP) solar cells have emerged as a promising candidate for next-generation photovoltaics due to their high power conversion efficiencies. However, their poor durability and issues with manufacturing consistency remain significant barriers to commercialization. In this work, we develop deep learning models to support materials characterization and provide insight into features and processes influencing performance. The models are trained using transfer learning of a pretrained model to predict relevant current-voltage (IV) metrics based on different combinations of input electroluminescence (EL) and photoluminescence (PL) images of MHP devices. We examine which image types are most informative in accurately predicting different IV metrics. Additionally, we use explainable artificial intelligence (XAI) techniques to provide insights into specific spatial features in the devices that drive differences in performance. We find that stabilized luminescence images (e.g. those collected after biasing the devices for at least 1 min) are better for predicting metrics of open-circuit voltage (by PL) and short-circuit current (by PL with EL), but that predicting fill factor and overall power output may use the time-evolution of EL images. Based on attribution masks generated by integrated gradients for each device performance metric, we further suggest different loss mechanisms associated with categories of large and small spatial defects. Overall, this case study highlights the potential applicability of XAI methodology for streamlining MHP device analysis and accelerating detailed understanding of the relationships between spatial defects and impacts on performance.

14 SOLAR ENERGY↗
DOE OSTI2020

Unitary Subharmonic Response and Floquet Majorana Modes

Detection and manipulation of excitations with non-Abelian statistics, such as Majorana fermions, are essential for creating topological quantum computers. To this end, we show the connection between the existence of such localized particles and the phenomenon of unitary subharmonic response (SR) in periodically driven systems. In particular, starting from highly nonequilibrium initial states, the unpaired Majorana modes exhibit spin oscillations with twice the driving period, are localized, and can have exponentially long lifetimes in clean systems. While the lifetime of SR is limited in translationally invariant systems, we show in this work that disorder can be engineered to stabilize the subharmonic response of Majorana modes. A viable observation of this phenomenon can be achieved using modern multiqubit hardware, such as superconducting circuits and cold atomic systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

In Situ Synthesis of Phosphate-Based CelloMOF as a Promising Separator for Li–Ion Batteries

Nowadays, battery separators play a critical role in determining the sustainability, electrochemical efficiency, and safety of lithium-ion batteries (LIBs). In this contribution, we developed fire-resistant composite membranes called CelloMOF by in situ grafting of metal-organic framework, ZIF-67, onto phosphorylated cellulose nanofibers (P-CNFs) followed by a vacuum filtration process akin to papermaking. The hybrid ZIF-67@P-CNF membrane exhibits superior properties than a polyolefin-based commercial separator (CS) in terms of enhanced thermal and dimensional stability, flame-retardant properties, better surface wettability, and improved electrolyte uptake. Thermal dimensional stability tests revealed that the ZIF-67@P-CNF separator maintained its structure even at 200 °C, whereas CS suffered severe shrinkage, potentially leading to internal short circuits. Combustion tests showed a peak heat release rate (PHRR) of 34.5 W/g and a total heat release (THR) of 1.61 kJ/g for ZIF-67@P-CNF, significantly lower than the PHRR (1111.82 W/g) and THR (40.89 kJ/g) of CS. The composite separator also demonstrated significantly improved wettability, with a contact angle of 32 ± 1.04°, compared to 92 ± 1.07° for CS, highlighting its hydrophilic nature. Electrochemical evaluations in LiFePO 4 /Li half-cells indicated a higher discharge capacity of 149 mA h g -1 at 0.2 C and superior capacity retention of 86% after 50 cycles, outperforming CS (145 mA h g -1 and 84%, respectively). In conclusion, these results underscore the potential of the ZIF-67@P-CNF membrane to advance safe, high-performance LIBs by addressing critical challenges in thermal stability, flame retardancy, and electrolyte compatibility.

ZIF-67↗