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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

In Situ Cyclized Polyacrylonitrile Coating: Key to Stabilizing Porous High-Entropy Oxide Anodes for High-Performance Lithium-Ion Batteries

High-entropy oxides (HEOs) composed of multiple metal elements have attracted great attention as anode materials for lithium-ion batteries (LIBs) due to the synergistic effects of various metal species. However, the practical applications of HEOs are still plagued by poor conductivity, unstable solid electrolyte interphase (SEI) and poor cycling stability. In this work, nanosized (FeCoNiCrMn) 3 O 4 HEO (NHEO) is prepared successfully by the NaCl-assisted mechanical ball-milling strategy. Novelly, polyacrylonitrile (PAN) is used as the binder and then in situ thermochemically cyclized to construct a cyclized PAN (cPAN) outer layer onto NHEO (NHEO-cPAN). The in situ formed cPAN coating not only improves the electrical conductivity, but also reinforces the structural and interfacial stability, and thereby, the resulted NHEO-cPAN electrode exhibits significantly enhanced rate and cyclic performance. Specifically, NHEO-PAN500 electrode delivers a high reversible capacity of 560 mAh g –1 at 5 A g –1 and a high-capacity retention of 83% over 800 cycles at 3 A g –1 . Furthermore, the structural evolution and electrochemical behavior of NHEO-PAN electrode during discharge/charge is systematically investigated by operando X-ray diffraction, in situ impedance spectroscopy and ex situ high-resolution transmission electron microscopy. Therefore, this work provides new insights into the engineering of electrode and interphase for high-performance HEO electrode materials, potentially enlightening the practical applications of HEO-based LIBs.

25 ENERGY STORAGE↗
DOE OSTI2023

Two‐Color Amplified Spontaneous Emission from Auger‐Suppressed Quantum Dots in Liquids

Abstract Colloidal quantum‐dot (QD) lasing is normally achieved in close‐packed solid‐state films, as a high QD volume fraction is required for stimulated emission to outcompete fast Auger decay of optical‐gain‐active multiexciton states. Here a new type of liquid optical‐gain medium is demonstrated, in which compact compositionally‐graded QDs (ccg‐QDs) that feature strong suppression of Auger decay are liquefied using a small amount of solvent. Transient absorption measurements of ccg‐QD liquid suspensions reveal broad‐band optical gain spanning a wide spectral range from 560 (green) to 675 nm (red). The gain magnitude is sufficient to realize a two‐color amplified spontaneous emission (ASE) at 637 and 594 nm due to the band‐edge (1S) and the excited‐state (1P) transition, respectively. Importantly, the ASE regime is achieved using quasicontinuous excitation with nanosecond pulses. Furthermore, the ASE is highly stable under prolonged excitation, which stands in contrast to traditional dyes that exhibit strong degradation under identical excitation conditions. These observations point toward a considerable potential of high‐density ccg‐QD suspensions as liquid, dye‐like optical gain media that feature readily achievable spectral tunability and stable operation under intense photoexcitation.

Li, Xueyang↗
DOE OSTI2026

Supramolecular Arene‐Perfluoroarene Assembly Enhances Photoiniferter Polymerization Kinetics

Ultra-high-molecular-weight (UHMW, >106 Da) polymers have unique thermomechanical properties due to their large number of physical entanglements. Producing UHMW styrenic polymers is challenging because of their prohibitively slow homopolymerization kinetics. In this report, we show that alternating photoiniferter copolymerization between methoxy-functionalized styrenic monomers and pentafluorostyrene can circumvent this limitation under conditions where arene–perfluoroarene (AP) interactions contribute to favorable monomer association and accelerate copolymerization. Increasing methoxy substitution on the styrene arene ring leads to pronounced rate enhancements that correlate with electronic complementarity between the styrenic comonomers. Density functional theory calculations reveal increasingly favorable AP interaction energies across the series, consistent with monomer association contributing to faster propagation. The result is up to 2000% enhancement in propagation rate in copolymerizations compared to styrene homopolymerization. Despite these rate enhancements, the resulting materials retain broadly similar glass-transition temperatures and network-like thermomechanical behavior, with only modest softening across the series. Here, we then leverage the approach to produce UHMW trialkoxystyrene copolymers bearing sterically encumbered pendants, which are ultrasoft (Young's modulus of 8 kPa) and highly extensible (560%). These results establish that designed supramolecular association between styrenics is a powerful tool for controlling reactivity in radical polymerization and generating otherwise difficult-to-obtain materials.

Marquez, Joshua D. [University of Florida, Gainesv↗
DOE OSTI2024

Micro-cold Spray Deposition of YSZ Films from Ultrafine Powders Using a Pressure Relief Channel Nozzle

Abstract The use of ultrafine powders in the micro-cold spray (MCS) process, also referred to as the aerosol deposition method, typically results in porous and/or poorly adhering films because the particles do not impact at a high enough velocity for sufficient plastic deformation and interparticle bonding to occur. Under typical operating conditions, particles < 100 nm accelerate to high velocities but then are slowed by the stagnant gas in the bow shock that forms just upstream of the substrate. Using larger particles reduces particle slowing, but large particles can cause erosion of the film at high impact velocity, decreasing deposition efficiency. In this study, a pressure relief channel nozzle using helium as a carrier gas is proposed such that high-velocity deposition of yttria-stabilized zirconia particles as small as 10 nm in diameter is possible. This is well below the size range of powders previously used for MCS. The proposed nozzle design increases impact velocities for 10, 20, and 50 nm particles by ~ 880, 560, and 160 m/s, respectively, when compared to a conventional nozzle. Experimental deposition of ultrafine 8YSZ powder shows that the pressure relief channel nozzle results in lower porosity and more uniform deposits, with a ∼ 186% increase in deposition efficiency.

Materials Science↗
DOE OSTI2021

Total Blood Mercury Predicts Methylmercury Exposure in Fish and Shellfish Consumers

Abstract Many studies evaluating methylmercury (MeHg) toxicity rely on whole blood total mercury (THg) measurements to estimate MeHg exposure. However, whole blood THg includes other forms of mercury (Hg), such as inorganic Hg, which have different exposure sources and toxicological effects than MeHg. Therefore, estimating the whole blood MeHg/THg ratio is critical to predicting MeHg exposure and, subsequently, efforts to establish an exposure–response relationship for use in risk assessment. A large, representative dataset (National Health and Nutrition Examination Survey (NHANES) 2011–2016) was used to determine the whole blood MeHg/THg ratio among (a) self-reported fish and shellfish consumers, ≥ 15 years of age (the “full adult” population ( N = 5268 training dataset; N = 2336 test dataset)) and (b) female fish and shellfish consumers, 15–44 years of age (the “women of reproductive age” population ( N = 1285 training dataset; N = 560 test dataset)). Unadjusted and adjusted linear and spline models with direct measurements for both THg and MeHg were evaluated. The mean whole blood MeHg/THg ratio was 0.75 (95% confidence interval (CI): 0.74, 0.75). This ratio was significantly higher among those with higher THg concentrations. All models exhibited excellent fit (adjusted R 2 from 0.957 to 0.982). Performance was slightly improved in spline versus linear models. For the full adult population and women of reproductive age, the unadjusted spline model predicted whole blood MeHg concentrations of 5.65 µg/L and 5.55 µg/L, respectively, when the THg concentration was 5.80 µg/L. These results suggest that whole blood THg is a good predictor of whole blood MeHg among fish and shellfish consumers.

Wells, Ellen M.↗
DOE OSTI2021

Concentrating rare earth elements to phosphate in molten coal ash by a temperature gradient approach

Synthetic coal ash bearing 560 ppm europium oxide, blended with aluminum phosphate, was heat treated above its melting temperature and crystal evolutions with respect to europium concentration under controlled cooling were studied. The sample in a boat crucible was subjected to a temperature gradient of 100 °C across it to cause zone refining effects on crystallization behaviors in the melt (slag). Post analysis found six mineral phases formed from the melt while europium was only present in calcium phosphate, implying the majority of europium was segregated to the calcium phosphate. Europium concentrations in the calcium phosphate phase tended to be higher at zones with higher temperatures: as high as 7200 ppm, a 13-fold increase from the initial concentration.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2023

Influence of processing on secondary phase formation and microstructural evolution at U-10Mo alloy and Zr interlayer interfaces

Thermo-mechanical processing of uranium-10 wt. % molybdenum (U-10Mo) fuel plates leads to microstructure changes at the U-10Mo/Zr interfaces. Secondary phases formed at this interface are particularly important to interfacial bond strength, process optimization, and maintaining structural integrity of the U-10Mo fuel plates during irradiation. In this work, we determined the phases and phase transformation products occurring at the interface of the U-10Mo fuel and Zr interlayer when the fuel plate is subjected to short and long hot isostatic pressure times. Interfacial morphology, structure and composition of phases formed, and relative hardness across the U-10Mo/Zr interfaces were studied using a multi-length scale, multi-modal characterization approach involving electron microscopy, atom probe tomography, and atomic force microscopy. Here, results highlight that the extent of phase transformations, secondary phase formation, and hardness variability across interfaces can be controlled by modifying processing parameters. Phase diagram construction and thermodynamic calculations were performed using the Thermocalc software to identify expected phases formed at interfaces during the maximum hold temperature of 560 °C experienced during HIP.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

3Y-TZP Toughened and Oxidation-resistant U 3 Si 2 Composites for Accident Tolerant Fuels

In this work, we report an innovative approach synergizing multiple effects of microstructure control, oxide protection and phase transformation-induced mechanically toughening to develop advanced U 3 Si 2 fuels with state-of-the-art materials properties. 3Y-TZP (3 mol% yttria doped stabilized tetragonal zirconia) additives are incorporated and uniformly distributed into the SPS-densified U 3 Si 2 fuel matrix, enhancing materials fracture toughness up to 4.04 MPa m 1/2 . The 3Y-TZP incorporated U 3 Si 2 composite pellets show significantly improved onset temperature of oxidation above 560 °C, which can be further improved to 617 °C with 3 vol% addition by post-sintering thermal annealing. We report the development of mechanically tough and oxidation-resistant U 3 Si 2 with minimal additive represents a major step forward towards realizing the potential of high density U 3 Si 2 as the leading fuel concept to increase accidence tolerance of nuclear energy systems.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Insight into the interfacial microstructure and chemistry of hot isostatically pressed AA6061-AA6061 bonds for U-10Mo fuel cladding application

Here, in the present study, hot isostatic pressing (HIP) bonding was carried out using AA6061-AA6061 plates for U-10Mo monolithic fuel cladding application. HIP was performed at 560°C with an applied isostatic pressure of 103 MPa for 90 min. Interfacial microstructure characterizations were performed using scanning electron microscopy (SEM) combined with electron backscatter diffraction (EBSD) to quantify precipitate fractions and study recrystallization, grain growth, and orientation relationships across the interface. EBSD results confirmed that no interfacial grain growth occurred during the HIP process. Transmission electron microscopy (TEM) was also employed to quantify composition and identify phases of various precipitates and an oxide layer that formed at the interface during HIP bonding. Microstructural analyses revealed the formation of a large fraction of Mg 2 Si precipitate and a ~50 nm thick Mg-oxide layer at the interface. Further TEM analysis confirmed that the oxide layer was not continuous, and Mg 2 Al 2 O 5 oxide particles with an average size of 18 nm were present in the oxide layer. Finite element modeling analysis was performed to study the stress distribution at the interface during HIP processing.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Comprehensive review of photophysical parameters (ε, Φ f , τ s ) of tetraphenylporphyrin (H 2 TPP) and zinc tetraphenylporphyrin (ZnTPP) – Critical benchmark molecules in photochemistry and photosynthesis

Tetraphenylporphyrin (H 2 TPP) and zinc tetraphenylporphyrin (ZnTPP) are widely used benchmark molecules in diverse photochemical studies given facile synthetic access, rich visible-region spectra, and broad structural analogy to chlorophylls. Yet the literature values for each key photophysical parameter – the molar absorption coefficient (ε), fluorescence quantum yield (Φ f ), and also singlet excited-state lifetime (τ S ) – vary over an astonishing range. Here, a comprehensive literature review (~1940–September 2020) encompassing 871 publications is reported for these essential parameters. Each parameter is determined by measurement with distinct instrumentation and suffers idiosyncratic sources of error. The best values for H 2 TPP are ε = 460,000 cm -1 ·M -1 , Φ f = 0.090, and τ S = 12.8 ns in Ar- purged toluene (Φf = 0.070, τS = 9.9 ns in toluene in air); the best values for ZnTPP are ε = 560,000 cm -1 ·M -1 , Φf = 0.030, and τ S = 2.1 ns in Ar-purged toluene (Φ f = 0.029, τ S = 2.0 ns in toluene in air). The choice of values for such parameters has far-reaching consequences in photochemistry ranging from fluorescence (or Förster) resonance energy transfer (FRET) processes to assessments of molecular brightness.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Hydrogen embrittlement and mechanical response of 304L steel with ZrC additions

While stainless steels are widely used for hydrogen storage infrastructure, they can still be vulnerable to hydrogen embrittlement justifying the need to further improve their hydrogen resiliency. Here, we investigate the potential for transition metal carbide additions to improve the hydrogen compatibility of austenitic stainless steels. ZrC nanoparticles were dispersed in contents of 0.01–10 wt% in 304 L stainless steel powder, mixed via high energy ball milling, and subsequently consolidated using direct current sintering. To assess hydrogen compatibility, the tensile properties of similarly processed 304 L without ZrC nanoparticles were compared to 304 L with the ZrC additions; both materials were evaluated prior to and after hydrogen exposure (non-charged and H-precharged, respectively). Depending upon the ZrC phase fraction, the yield strengths varied from ∼325 to 560 MPa in the non-charged condition and from ∼375 to 550 MPa in the H-precharged condition. Strain at failure varied from ∼5 to 90 % and from ∼5 to 35 % in the non-charged and hydrogen-precharged conditions, respectively. Results from stress-strain profiles demonstrate limited efficacy of ZrC as a method to mitigate hydrogen embrittlement entirely but does demonstrate the potency of ZrC inclusions as strengthening addition to 304 L alloys without a loss of ductility.

08 HYDROGEN↗
DOE OSTI2022

Correlation between Interface Microstructure and Bond Strength of Al6061/Al6061 HIP-Bonded Plates for Fuel Cladding Application

The effects of hot isostatic pressing (HIP) processing parameters on microstructure and bond strength of Al6061/Al6061 plate interfaces were systemically investigated at the micro- and nanoscale. The HIP bonding of the two aluminum plates was performed at four temperatures: 350°C, 400°C, 450°C, and 560°C. The results reveal the formation of micron scaled Mg 2 Si precipitate and uniform nano scaled Mg 2 Al 2 O 5 oxide at the interface. The formation of Mg 2 Al 2 O 5 is closely associated with the fast bulk diffusion of Mg from the Al matrix to the amorphous Al 2 O 3 /Al interface and subsequent reaction between Mg and Al 2 O 3 . Finally, the highest and lowest bond strengths were observed in samples HIP bonded at 450°C and 350°C, respectively.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Development of a thermal creep model for aluminum alloy 6061 cladding in U-10Mo monolithic fuel plates

Plate-type fuel elements consisting of a high-density, low-enriched uranium (LEU) U–10Mo-based fuel foil encapsulated in an aluminum alloy (AA) cladding are fabricated using the hot isostatic pressing (HIP) technique. During the HIP process, the fuel plate system is heated to 560 °C, then cooled to room temperature. This heat cycle significantly affects the mechanical properties of the aluminum cladding, and experimental investigations have shown that, post-HIP bonding, the mechanical properties of the aluminum cladding transition from those of AA 6061-T6 to something closer to the O temper. More specifically, the ultimate strength of the cladding decreases while its ductility increases, making it challenging to capture the changes in mechanical behavior and material properties. Understanding the residual stresses generated during the HIP process is critical for assessing the fuel plate’s integrity under various temperature, pressure, and irradiation. To simulate the HIP bonding process, the elastic, plastic, and thermal properties of the cladding are assumed to be similar to those of AA 6061-O temper. However, the primary challenge lies in the lack of available data for the creep model of the AA 6061 cladding during this transient process of HIP. The present study focuses on developing a computational model that predicts the creep behavior of the aluminum cladding in the fuel plates during the HIP process, as cladding creep significantly influences the residual stresses generated in U-10Mo fuel plates during HIP fabrication. Furthermore, as HIP bonding occurs at high temperatures that are nearing the melting point of aluminum, the present work considered a temperature-dependent Arrhenius-type creep model. In particular, a hyperbolic sine creep model is employed to estimate the creep properties of the as-fabricated aluminum cladding. In conclusion, the residual stresses predicted in the U-10Mo fuel when using the newly calibrated creep model closely align with the experimental measurements, validating the model’s accuracy.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Synthesis, Stability, and Magnetic Properties of Antiperovskite Co 3 PdN

Experimental synthesis and characterization of theoretically predicted compounds are important steps in the materials discovery pipeline. Here, we report on the synthesis of Co 3 PdN, which was recently predicted to be a stable magnetic antiperovskite. The Co 3 PdN thin films were grown by reactive sputtering and were confirmed to form in an antiperovskite crystal structure. The thermal stability of the compound is demonstrated up to 600 K by in situ X-ray diffraction, though the phase persists at slightly higher temperatures (700 K) in an air-free magnetometer. Both ab initio calculations and magnetization measurements find Co 3 PdN to be ferromagnetic with an experimentally determined Curie temperature of T C = 560 ± 5 K. The saturation magnetization of 1.2 μ B /Co found in the experiment is slightly lower than the 1.7 μ B /Co value expected by theory. A narrow magnetic hysteresis loop with a coercive field of 100 Oe at low temperature suggests that Co 3 PdN might be useful in electronic applications requiring fast switching of the magnetization vector. While prior prediction of Co 3 PdN showed a gapped electronic band structure for each spin channel, we show that this was due to incomplete sampling of Brillouin zone paths and that band crossings exist along R-X|M and X|M-R paths. The metallic nature of Co 3 PdN is further confirmed by temperature-dependent transport measurements, which also show a considerable anomalous Hall effect. Altogether, this work represents an appreciable step toward understanding the synthesis, structure, stability, and properties of a new magnetic material.

14 SOLAR ENERGY↗
DOE OSTI2025

PySIDT: Subgraph Isomorphic Decision Trees for Molecular Property Prediction

Accurate molecular property prediction is important across all fields of chemistry. Deep neural networks (DNNs) have become increasingly popular due to their ability to train automatically, avoiding the incredibly tedious process of constructing and extending traditional property estimation schemes. However, DNNs require large amounts of training data, are challenging to interpret, require large amounts of memory to load even during inference, and have severe difficulties incorporating qualitative chemical knowledge, which are often desired for molecular property prediction tasks. Here, in this study, we present PySIDT (https://github.com/zadorlab/PySIDT), a software for training and running inference on Subgraph Isomorphic Decision Trees (SIDTs). SIDTs are graph-based decision trees made of nodes associated with molecular substructures. Inference is done by descending target molecular structures down the decision tree to nodes with matching subgraph isomorphic substructures and making predictions based on the final (most specific) nodes matched. SIDTs scale down well to dataset sizes much smaller than is feasible for DNNs. As trees of molecular substructures, SIDTs are inherently readable and easy to visualize, making them easy to analyze. They are also straightforward to extend and retrain, facilitate uncertainty estimation, and enable easy integration of expert knowledge. We demonstrate the SIDT approach discussing its application to a diverse range of molecular prediction tasks: rate coefficient estimation, diffusion coefficient estimation, thermochemistry estimation, transition state bond stretch prediction, p K a prediction, stability of molecular structures, stability of surface structures, and prediction of surface lateral interaction energetics. Additionally, we demonstrate the power of the SIDT algorithms in two direct learning curve vanilla comparisons with the popular DNN-based software Chemprop and the popular gradient boosted trees-based software XGBoost on enthalpy of formation and rate coefficient prediction tasks. In particular, in the enthalpy of formation case, vanilla PySIDT is able to outperform vanilla Chemprop and XGBoost across the full range of training/validation set sizes out to 11,560 data points.

Johnson, Matthew Sean [Sandia National Laboratorie↗
DOE OSTI2021

Extremely Slow Trap-Mediated Hole Relaxation in Room-Temperature InP/ZnSe/ZnS Quantum Dots

Time-resolved photoluminescence (PL) and transient absorption (TA) spectroscopy have been used to elucidate the hole relaxation dynamics in high-quality InP/ZnSe/ZnS quantum dots (QDs) at room temperature. In QDs having an In/P ratio close to 1:1, hole cooling is fast compared to the ~40 ps time-correlated photon-counting instrument response. However, in QDs that luminesce at wavelengths greater than around 600 nm and have excess indium, a significant fraction of the PL exhibits a slower rise time. In this case, the PL rises over a range of timescales varying from close to the instrument response to approximately 300–400 ps. The time constant of the slowest component increases with increasing InP core size and the fraction of the PL that has the slow rise time increases with excess indium in the particle. In all cases, a slow rise time and any spectral evolution on that timescale are absent in the TA results, indicating that the slow dynamics may be assigned to relaxation in the valence band. QDs emitting at wavelengths below 560 nm show very different dynamics, exhibiting a barely detectable <50 ps rise time. Based on these results and measured elemental compositions, the slow hole relaxation is assigned to the transient population of indium-based traps in the ZnSe shell that are above the valence band edge only for the larger, red-emitting QDs. Here, the relative trap to band edge relaxation rates can be understood in terms of effective mass approximation hole wave function calculations, which show that the relaxation rate is largely determined by the extent to which the hole wave function in the lowest exciton penetrates into the ZnSe shell, overlapping the trapped-hole wave functions.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

The Role of Surface Hydroxyls in Dehydration and Dehydrogenation of Formic Acid on Fe 3 O 4 (001)

Understanding the role of surface structure and hydroxylation in catalytic reactions on metal oxide surfaces is important for developing a mechanistic insight into the complex interface processes. Here, we investigate the reactivity of formic acid on reconstructed Fe 3 O 4 (001) using a combination of X-ray photoelectron spectroscopy, infrared reflection absorption spectroscopy, temperature-programmed reaction spectroscopy, low energy electron diffraction, and electronic structure calculations. We find that formic acid initially dissociates at low temperatures (< 80 K) into bidentate formate and a hydroxyl up to an initial dosed coverage of two HCOOH per Fe 3 O 4 (001) unit cell. At higher temperatures (> 450 K), formate largely decomposes along the dehydration pathway, producing CO and H 2 O, with dehydrogenation to CO 2 being a minority side reaction. As a first step, water formation leads to surface oxygen extraction via the Mars-van Krevelen mechanism. Computational studies reveal formate embedded in oxygen vacancies as a key intermediate in the CO formation mechanism. CO formation proceeds via two reaction pathways with desorption that peaks at 530 K on the hydroxyl-rich surface and 560 K on the hydroxyl-deficient surface. Atomic hydrogen coadsorption experiments and ab initio calculations reveal that the presence of surface hydroxyls reduces the CO formation barrier. Furthermore, these results highlight the complex interactions between substrate and intermediate species occurring during reactions on metal oxide surfaces.

Adsorption↗
DOE OSTI2024

Upconversion on the Micrometer Scale: Impact of Local Heterogeneity

The properties of perovskite/naphtho[2,3-a]pyrene (NaPy) upconversion devices are investigated by a combination of atomic force microscopy and photoluminescence mapping to understand the role of microscopic heterogeneity in the ensemble device properties. The results emphasize strong microscopic inhomogeneity across the perovskite/NaPy upconversion device due to local formation of NaPy microcrystals. NaPy shows emission from three distinct states in the solid state: S 1 ′ emission at 520 nm, excimer emission at 560 nm, and S 1 ″ emission at 620 nm. Clear spatial differences in the emission spectrum under 405 nm excitation are found, highlighting that there is a strong microcrystal-to-microcrystal variation in the optical properties─emphasizing a need for multimodal measurements. Furthermore, our results indicate that microcrystals with strong emission from the strongly coupled low-energy state S 1 ″ (J-dimer) show much higher upconversion intensity than those with dominant emission from the high-energy S 1 ′ state (I-aggregate). Hence, our results suggest that microcrystals with strong emission from the low-energy state S 1 ″ act as isolated hotspots for upconversion.

Crystals↗