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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

CO 2 in Ionene–Ionic Liquid Composite Membranes

Abstract Ionene – ionic liquid (IL) composites are promising materials for CO 2 separation, yet a molecular‐level understanding of their structure and its impact on CO 2 speciation, solubility, rotation, and diffusivity remains unclear. Herein, using multimodal nuclear magnetic resonance (NMR), time‐of‐flight secondary ion mass spectrometry (ToF‐SIMS), atomic force microscopy (AFM), and molecular dynamics (MD) simulations, we reveal that the composites contain IL‐rich domains extending across hundreds of nanometres within the ionene matrix, and these bicontinuous domains span the entire membrane depth. CO 2 also absorbs into the ionene matrix, with the distribution between two CO 2 species varying with temperature and time. The rotational correlation times of these two species are on the timescale of 0.1 and 1 ns, respectively. As IL content increases, the ionic domains expand, resulting in higher CO 2 solubility due to enhanced molecular dynamics and increased free volume in both ionene backbones and IL‐rich regions. Although CO 2 diffusion in the membranes is an order of magnitude slower than in bulk IL, the activation energy for CO 2 diffusion remains comparable. Ionene‐IL composites represent a promising platform for designing CO 2 separation membranes, offering enhanced CO 2 diffusion and selectivity through IL‐rich domains, and increased CO 2 solubility and mechanical integrity from the ionene matrix.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Serpent transient analyses of GIACINT geometrical change experiments

This paper simulates seven transient experiments with geometrical movements performed at the GIACINT facility of Belarus. These experiments include three slow control rods insertion in more than 25 s, one fast control rod insertion in less than 1 s, and three water moderator draining transients. In the fast control rod insertion experiment, the control rods are first pushed by a mechanical spring and then let fall by gravity in the assembly. In this experiment, the control rods speed varies because of the initial spring force, the gravitational acceleration, and the water buoyancy force. In all other transient experiments, the geometry change occurs with a constant speed. The Serpent computer program was utilized to simulate these transient experiments with geometrical changes by performing two separate computations. One time-independent computation is performed in criticality mode and the other time-dependent computation is performed in dynamic-source mode. The first computation writes the neutron population and delayed neutron precursors for starting the transient simulation. The second computation divides the transient time into several time bins, reads the two files from the first computation, and updates them at the end of each time bin. The Serpent simulation results obtained for this set of experiments are in good agreement with the time dependent experimental measurements. In addition, Serpent and MCNP simulations results show an excellent agreement for the water moderator transient

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

Improving Convection Trigger Functions in Deep Convective Parameterization Schemes Using Machine Learning

Abstract Deficiencies in convection trigger functions, used in deep convection parameterizations in General Circulation Models (GCMs), have critical impacts on climate simulations. A novel convection trigger function is developed using the machine learning (ML) classification model XGBoost. The large‐scale environmental information associated with convective events is obtained from the long‐term constrained variational analysis forcing data from the Atmospheric Radiation Measurement (ARM) program at its Southern Great Plains (SGP) and Manaus (MAO) sites representing, respectively, continental mid‐latitude and tropical convection. The ML trigger is separately trained and evaluated per site, and jointly trained and evaluated at both sites as a unified trigger. The performance of the ML trigger is compared with four convective trigger functions commonly used in GCMs: dilute convective available potential energy (CAPE), undilute CAPE, dilute dynamic CAPE (dCAPE), and undilute dCAPE. The ML trigger substantially outperforms the four CAPE‐based triggers in terms of the F 1 score metric, widely used to estimate the performance of ML methods. The site‐specific ML trigger functions can achieve, respectively, 91% and 93% F 1 scores at SGP and MAO. The unified trigger also has a 91% F 1 score, with virtually no degradation from the site‐specific training, suggesting the potential of a global ML trigger function. The ML trigger alleviates a GCM deficiency regarding the overprediction of convection occurrence, offering a promising improvement to the simulation of the diurnal cycle of precipitation. Furthermore, to overcome the black box issue of the ML methods, insights derived from the ML model are discussed, which may be leveraged to improve traditional CAPE‐based triggers.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Crystallographic Texture, Structure, and Stress Transmission in Nugget Sandstone Examined With X‐Ray Tomography and Diffraction Microscopy

Subsurface processes in sandstones are controlled by porosity, permeability, and deformation mechanisms, all of which are controlled by a complex interplay of crystallographic rock texture, structure, and micromechanics. Texture, structure, and micromechanics have historically been studied using optical and electron microscopy of thin-sections. Here, we employed a new combination of in situ X-ray tomography and ray diffraction microscopy to study crystallographic texture, structure, and grain stresses in 3D. We examined these features in a sample of Nugget sandstone, a sandstone constituting hydrocarbon reservoirs across the American West. Our aims are threefold. First, we demonstrate the utility of X-ray diffraction microscopy probes for revealing texture, structure, and stress transmission in 3D. Second, we apply these techniques to Nugget sandstone and discuss findings in the context of prior work. Third, we study grain stress tensor evolution during mechanical compression to examine whether their heterogeneity and orientation evolution reflect that of inter-particle forces in granular materials. Our results show: (a) larger grains featured higher intra-granular misorientations, possibly from an increased prevalence of cements; (b) pores closed parallel to the loading direction and opened normal to loading; (c) grain stresses featured heterogeneity and orientations similar to inter-particle forces in non-cohesive granular materials; (d) grains featured compressive stresses in the loading direction and tensile stresses orthogonal to the loading direction, the latter resisting sample dilation and grain separation. Our work demonstrates the first known application of multi-modal X-ray tomography and diffraction microscopy to sandstone, providing new 3D insight into the nature of quartz cement and stress evolution.

high energy diffraction microscopy↗
DOE OSTI2026

Data, model inputs, and analysis scripts associated with a manuscript on stream intermittency controls across spatial scales in Pacific Northwest watersheds

NOTE: The manuscript associated with this data package is currently in review. The data may be revised based on reviewer feedback. Upon manuscript acceptance, this data package will be updated with the final dataset and additional metadata. This data package is associated with the manuscript "Hydroclimatic Memory and Watershed Template Shape Stream Intermittency: Multi-scale Attribution Using Process-based Simulation and Explainable ML" by Niroula et al. (2026), submitted to Water Resources Research (WRR). The study investigates the dominant controls on stream intermittency across local, reach, and watershed scales using a coupled process-based simulation and explainable machine-learning framework. Long-term daily simulations from the Advanced Terrestrial Simulator (ATS) were used to generate wetness states and ponded-depth responses over river-corridor cells. These ATS outputs were then aggregated across scales and used to train XGBoost (eXtreme Gradient Boosting) models. SHAP (SHapley Additive exPlanations) was applied to quantify the relative importance of hydroclimatic forcings, watershed template attributes, and antecedent-memory effects in shaping intermittency behavior. The analysis is carried out for three contrasting Pacific Northwest watersheds: Oak Creek (OCW), American River Watershed (ARW), and H.J. Andrews (HJA). Across these testbeds, the package contains ATS-ready watershed inputs, ATS run configuration and selected output files, model-evaluation data products, intermittency-analysis datasets, machine-learning target-feature tables, SHAP outputs, and notebooks used to organize, analyze, and visualize results. At a high level, the package documents a workflow in which ATS provides the physically based simulation backbone and explainable machine learning is used as a post-processing attribution tool. The contents are intended to support interpretation of the manuscript figures and results, provide context for how intermittency metrics were generated at multiple scales, and preserve the key artifacts needed to understand and reuse the analysis workflow. The package contains a high-level directory summary file (`summary.txt`) and four main content folders (1) `evaluation_plots` contains evaluation figures and supporting evaluation datasets; (2) `intermittency_plots` contains intermittency-focused analysis notebook and prepared datasets; (3) `ml-training-and-shap_values_plots` contains ML training inputs, SHAP outputs, and figure-generation notebooks; and (4) `watershed_mesh_and_ats_input` contains ATS model setup materials, forcing inputs, geometry, and selected run files. More specifically, the `evaluation_plots` folder contains the notebook used for ATS evaluation plotting and site-specific evaluation datasets. These include evapotranspiration and water-balance products for three watersheds, as well as an Oak Creek field-measurement discharge file. The `intermittency_plots` folder contains the notebook used for intermittency analysis and the prepared datasets used to analyze intermittent and non-intermittent wetness behavior across the study watersheds. The `ml-training-and-shap_values_plots` folder contains notebooks and outputs for the machine-learning and explainability workflow. This includes the main XGBoost and SHAP notebook(s), a beeswarm plotting notebook, target-feature tables for machine-learning training, SHAP summary tables, and per-sample SHAP value archives. The `watershed_mesh_and_ats_input` folder contains ATS-related watershed inputs and supporting materials. This includes mesh and shape products, ATS-readable LAI and meteorological forcing inputs, selected ATS spinup and transient-run files, and a watershed workflow example notebook. Subdirectories are organized by watershed where applicable.All files are .cpg (codepage files), .csv (comma-separated values), .dbf (database files), .exo (Exodus mesh format), .h5 (HDF5 format), .ipynb (Jupyter notebooks), .pkl (Python pickle), .prj (projection files), .sh (shell scripts), .shp (shapefile geometry), .shx (shapefile index), .txt (text files), or .xml (markup data).

Advanced Terrestrial Simulator↗
DOE OSTI2021

A Scoping Study to Develop a Computational Fluid Dynamics Based Model to Predict Radiological Materials Packaging Temperatures within a Generic Staging Building

The objective of this work is to perform computational fluid dynamics simulations of a ventilated radiological-material-package staging building to determine the effect of including or excluding a variety of physical effects and computational methods on both the predicted package temperatures and required computational resources. The generic building contains 640 drum-packages containing heat-generating, radiological material supported on four racks that are eight levels tall. Additionally, there is a forced ventilation system, lighting, and insulated walls. Computational models were constructed that included or excluded (a) shelving, (b) effects of unsteadiness, and (c) radiation heat transfer. Simulations with each drum modeled separately were compared to simpler simulations with sets of four drums represented by an equivalent box-package. These models employed between 106 to 107 elements. Steady state simulations predicted package temperatures that were within 0.1°C of simulations that included transient effects and required only one-eighth the computational resources. Calculations that excluded shelving predicted temperatures within 0.6°C of simulations that included shelving and required one-fourth the computational resources. Excluding radiation heat transfer systematically increased temperatures by around 1.5°C but reduced computational resources by a factor of four. The box-package model reduced the computational resources by a factor of 3, but systematically predicted higher temperatures by around 1.1°C. These results will be used to develop an efficient computational fluid dynamics model to assess the ability of different staging building designs to prevent the temperature of package components from exceeding specified limits.

42 ENGINEERING↗
DOE OSTI2024

Impacts of Irradiation Structural Behavior on Thermal Hydraulics Safety Analysis to Support MURR LEU Conversion

The University of Missouri Research Reactor (MURR) located in Columbia, Missouri is one of six U.S. High Performance Research Reactors (USHPRR), including one critical facility, that is actively collaborating with U. S. Department of Energy (DOE) National Nuclear Security Administration (NNSA) Material Management and Minimization (M3) Office of Reactor Conversion and Uranium Supply to convert from the use of highly enriched uranium (HEU; ≥20 wt% U-235) to low-enriched uranium (LEU; <20 wt% U-235) fuel. A new type of very high-density LEU fuel based on an alloy of uranium and 10 wt% molybdenum (U-10Mo) is expected to allow the conversion to LEU of MURR, as well as four other USHPRR. MURR has been working with the Reactor Conversion Pillar at Argonne to perform fuel element design and fuel cycle performance analyses, steady-state thermal hydraulics safety analysis, and accident safety analyses in preparation for the conversion of MURR and to support a preliminary safety analysis report for conversion to LEU fuels. Subsequent analyses have also been performed, including transition cycles where all-fresh LEU fuel elements are introduced upon conversion and progressing through reactor operations the core is brought to equilibrium. Thermal hydraulics safety analyses performed as part of the above have employed an assumption on channel gap reduction due to burnup-related phenomena including fuel swelling, irradiation creep, and oxide layer buildup. Recently, a series of structural analyses have been performed on the MURR LEU fuel plates and an element due to significant differences between the plate and element designs of the MURR HEU and LEU fuels. In addition, NUREG-1537 indicates that structural phenomena are to be evaluated. Two separate types of structural analyses were performed for the MURR LEU fuel element: fluid-structure interaction (FSI) and irradiation thermo-mechanical. The FSI analysis evaluated the effects of hydraulic forces on the MURR LEU fuel element to quantify the flow-induced plate deflection, and a minimal impact to the channel gap thickness was predicted under prototypic and bounding conditions. The irradiation thermo-mechanical analysis evaluated the effects of fuel swelling, irradiation creep, and thermal expansion for the MURR LEU plates and the element for prototypic thermal and irradiation conditions based on a high-fidelity approach multiphysics approach. Overall, this thermo-mechanical analysis predicts smaller gap thickness changes in previously limiting regions. Larger changes are predicted in the middle of channels, and for end channels where power density is not typically a maximum. An additional thermo-mechanical analysis was performed for the outermost HEU fuel plate, which showed a similar magnitude of deflection as the outermost LEU plate. Due to substantial differences between the channel gap reductions assumed for the previous safety analyses and those predicted by the irradiation thermo-mechanical analysis, a need to evaluate their impact on the thermal hydraulics safety analyses arose. This report presents the results from the steady-state safety analyses for normal operation as well as the accident analyses for the two most limiting accident scenarios.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

A Deep Look at the Ultra-Faint Milky Way Satellite Virgo III with Rubin Observatory Data Preview 2

We analyze the ultra-faint Milky Way satellite Virgo III using data from the Vera C. Rubin Observatory Data Preview 2 (DP2). Virgo III was observed in the Rubin "Cosmic Treasure Chest" (M49) First Look field, which contains 924 visits in the u,g,r,i bands comprising ~10.5hrs of exposure time with LSSTCam. These data are considerably deeper than the majority of DP2, with a $5σ$ limiting magnitude that approaches the expected 10-year depth of LSST (~25.2-26.5mag, depending on band). We report the morphological and stellar population parameters of Virgo III measured with the maximum-likelihood-based package ugali. The depth of the Rubin imaging yields more than a factor of four increase in the number of candidate member stars ($N_* = 114^{+11}_{-11}$) relative to the Virgo III discovery results ($N_* = 25^{+5}_{-4}$), enabling significantly more precise morphological constraints. Our best-fit parameters broadly agree with previous measurements, further confirming that Virgo III has properties that are consistent with an ultra-faint dwarf galaxy ($M_V = -2.72^{+0.49}_{-0.70}$; $r_{1/2} = 53^{+10}_{-8}$) located at a heliocentric distance of $D_\odot = 151^{+8}_{-8}$. We also demonstrate that the depth and photometric quality of the DP2 data are sufficient to separate metal-poor and metal-rich stars in color-color space. We further present period estimates for the three known RR Lyrae member stars derived from the DP2 forced photometry; we use theoretical Period-Luminosity-Metallicity (PLZ) and Period-Wesenheit-Metallicity (PWZ) relations to obtain independent distance estimates. We find that our period and distance estimates are broadly consistent with previous measurements for these RR Lyrae. These results demonstrate the power of LSST data for the discovery and characterization of ultra-faint dwarf galaxies and motivate future searches for new satellites across the southern sky.

Pai, Aashay [Chicago U.; Chicago U., KICP; SkAI, C↗
DOE OSTI2022

Using Al 3+ to Tailor Graphene Oxide Nanochannels: Impact on Membrane Stability and Permeability

Graphene oxide (GO) membranes, which form from the lamination of GO sheets, attract much attention due to their unique nanochannels. There is much interest in controlling the nanochannel structures and improving the aqueous stability of GO membranes so they can be effectively used in separation and filtration applications. This study employed a simple yet effective method of introducing trivalent aluminum cations to a GO sheet solution through the oxidation of aluminum foil, which modifies the nanochannels in the self-assembled GO membrane by increasing the inter-sheet distance while decreasing intra-sheet spacing. The Al 3+ modification resulted in an increase in membrane stability in water, methanol, ethanol, and propanol, yet decreased membrane permeability to water and propanol. These changes were attributed to strong interactions between Al 3+ and the membrane oxygenated functional groups, which resulted in an increase in membrane hydrophobicity and a decrease in the intra-sheet spacing as supported by surface tension, contact angle, atomic force microscopy, and X-ray photoelectron spectroscopy measurements. Our approach for forming Al 3+ modified GO membranes provides a method for improving the aqueous stability and tailoring the permeation selectivity of GO membranes, which have the potential to be implemented in vapor separation and fuel purification applications.

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

Optimal band selection for target detection with a LWIR multispectral imager

Multispectral imaging can offer many benefits in cost, complexity, resolution, size, weight, and power, relative to hyperspectral imaging. When designing a multispectral system, spectral bandpasses can be selected using optimization algorithms configured to maximally separate target detection scores between target and background regions. A hyperspectral image (HSI) can serve as the source of data from which band groupings can be tested for optimality. The output of an adaptive cosine estimator target detection algorithm is used in an objective function. Three optimization algorithms are compared: particle swarm, dual annealing, and differential evolution. A global optimum is also found using a brute force approach on the Livermore Computing Syrah supercomputer. Three materials are investigated: calcite, gypsum, and limestone. This is done for 3-, 4-, and 5-band systems. The data originate from a longwave infrared HSI of a material display board. The optimization algorithms were run 30 times for every scenario. Performance statistics (maximum, minimum, mean, standard deviation, and median) based on the separation values are given. Additional characterization was performed using receiver operator characteristic (ROC) curves and the area under the ROC curve. While good performance was obtained for the three optimization algorithms, the dual annealing algorithm produced the highest and most consistent detection separation scores on average.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Amorphous 1-D nanowires of calcium phosphate/pyrophosphate: A demonstration of oriented self-growth of amorphous minerals

Amorphous inorganic solids are traditionally isotropic, thus, it is believed that they only grow in a non-preferential way without the assistance of regulators, leading to the morphologies of nanospheres or irregular aggregates of nanoparticles. However, in the presence of (ortho)phosphate (Pi) and pyrophosphate ions (PPi) which have synergistic roles in biomineralization, the highly elongated amorphous nanowires (denoted ACPPNs) form in a regulator-free aqueous solution (without templates, additives, organics, etc). Based on thorough characterization and tracking of the formation process (e.g., Cryo-TEM, spherical aberration correction high resolution TEM, solid state NMR, high energy resolution monochromated STEM-EELS), the microstructure and its preferential growth behavior are elucidated. In ACPPNs, amorphous calcium orthophosphate and amorphous calcium pyrophosphate are distributed at separated but close sites. The ACPPNs grow via either the preferential attachment of ~2 nm nanoclusters in a 1-dimension way, or the transformation of bigger nanoparticles, indicating an inherent driving force-governed process. Here, we propose that the anisotropy of ACPPNs microstructure, which is corroborated experimentally, causes their oriented growth. This study proves that, unlike the conventional view, amorphous minerals can form via oriented growth without external regulation, demonstrating a novel insight into the structures and growth behaviors of amorphous minerals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Uncertainty evaluation for twist drilling stability model

This paper describes the first uncertainty analysis for drilling stability using a frequency-domain drilling stability model. The stability model inputs include: the modal parameters for the torsional-axial vibration mode from the twist drill-holder-spindle axial frequency response function; and the mechanistic coefficients that relate the torque and thrust force to chip area for the selected drill-workpiece material combination. Furthermore, Monte Carlo simulation is applied to propagate the input uncertainties to output uncertainty in the predicted stability map, which separates stable from unstable (chatter) zones in the spindle speed-chip width parameter space. Additionally, the mean stability boundary and its 95% confidence intervals are determined for five cases: varying all four inputs simultaneously and varying them individually. This enables the individual sensitivities to be compared. Experimental results from drilling tests are included for comparison to the prediction. Additionally, Matlab code is provided to implement the stability model and Monte Carlo uncertainty analysis.

42 ENGINEERING↗
DOE OSTI2020

Wettability and capillary effects: Dynamics of pinch-off in unconstricted straight capillary tubes

We study the interfacial evolution of immiscible two-phase flow within a capillary tube in the partial wetting regime using direct numerical simulation. We investigate the flow patterns resulting from the displacement of a more viscous fluid by a less viscous one under a wide range of wettability conditions. We find that beyond a wettability dependent critical capillary number, a uniform displacement by a less viscous fluid can transition into a growing finger that eventually breaks up into discrete blobs by a series of pinch-off events for both wetting and non-wetting contact angles. This study validates previous experimental observations of pinch-off for wetting contact angles and extends those to non-wetting contact angles. We find that the blob length increases with the capillary number. We observe that the time between consecutive pinch-off events decreases with the capillary number and is greater for more wetting conditions in the displaced phase. Here, we further show that the blob separation distance as a function of the difference between the inlet velocity and the contact line speed collapses into two monotonically decreasing curves for wetting and non-wetting contact angles. For the phase separation in the form of pinch-off, this work provides a quantitative study of the emerging length and time scales and their dependence on the wettability conditions, capillary effects, and viscous forces.

42 ENGINEERING↗
DOE OSTI2020

Two-channel anomalous Hall effect in SrRuO 3

The Hall effect in SrRuO 3 thin films near the thickness limit for ferromagnetism shows an extra peak in addition to the ordinary and anomalous Hall effects. This extra peak has been attributed to a topological Hall effect due to two-dimensional skyrmions in the film around the coercive field; however, the sign of the anomalous Hall effect in SrRuO 3 can change as a function of saturation magnetization. Here we report Hall peaks in SrRuO 3 in which volumetric magnetometry measurements and magnetic force microscopy indicate that the peaks result from the superposition of two anomalous Hall channels with opposite sign. These channels likely form due to thickness variations in SrRuO 3 , creating two spatially separated magnetic regions with different saturation magnetizations and coercive fields. Overall, the results are central to the development of strongly correlated materials for spintronics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Water as a gas separation membrane

Efficient gas separation membranes are essential for carbon capture, biogas upgrading, and hydrogen purification. Inspired by how plants absorb CO 2 through water, we present a membrane platform that uses liquid water as the selective layer. Hydrophilic sub-100-nm pores stabilize water through strong capillary forces, enabling operation at feed pressures above 72 bar under dry and humid conditions. Selectivity is governed by gas solubility in water, while permeance is tuned by adjusting the water layer thickness. Reducing this thickness below 200 nm yields CO 2 permeances up to 11,600 gas permeation units with CO 2 :N 2 , CO 2 :CH 4 , and CO 2 :H 2 selectivities of 40, 26, and 31, respectively, surpassing the performance of state-of-the-art membranes. Operation is sustained for over a week without water loss, and performance scales using commercially available porous polymer supports under mixed-gas crossflow conditions. Water’s dissolution-based transport avoids saturation and reaction-rate limits, enabling a robust, high-performance, and environmentally benign gas separation platform.

08 HYDROGEN↗
DOE OSTI2022

Effect of substrate temperature on the growth of Nb 3 Sn film on Nb by multilayer sputtering

Here, we report on the fabrication of niobium tin (Nb 3 Sn) films by multilayer sequential sputtering on niobium at substrate temperatures ranging from room temperature to 250 °C. The multilayers were then annealed inside a separate vacuum furnace at 950 °C for 3 h. The material properties of the films were characterized by X-ray diffraction, scanning electron microscopy, energy-dispersive X-ray spectroscopy, atomic force microscopy, and transmission electron microscopy. The superconducting properties of the films were studied by four-point probe resistivity measurements from room temperature to below the superconducting critical temperature T c . The highest film T c was 17.76 K, obtained when the multilayers were deposited at room temperature. When the deposition temperature was raised to 250 °C, a significant reduction in voids was achieved while the film's T c was 17.58 K.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Polariton Control of Molecular Charge Transfer in Perylene Diimide Semiconductors

We report the modulation of molecular charge transfer in a bay-substituted perylene diimide derivative embedded in a planar distributed Bragg reflector microcavity. Angle-resolved reflectance spectra confirm the formation of upper and lower polaritons with clear Rabi splitting, indicating strong coupling between the cavity mode and molecular excitons. Using broadband transient absorption spectroscopy, we compare the ultrafast dynamics of cavity and non-cavity films. While excited-state absorption and stimulated emission pathways remain largely unchanged, kinetic modeling reveals a moderate increase in the charge transfer rate and yield under strong coupling. This enhancement is attributed to a reduction in the effective driving force via the formation of the lower polariton, placing the system deeper into the Marcus inverted regime. Our results demonstrate a promising non-chemical method leveraging cavity quantum electrodynamics to modulate charge separation processes in molecular semiconductors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗