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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 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Green’s function coupled cluster simulation of the near-valence ionizations of DNA-fragments

Accurate description of the ionization process in DNA is crucial to the understanding of the DNA damage under exposure to ionizing radiation and the exploration of the potential application of DNA strands in nanoelectronics. In this work, by employing our recently developed Green’s function coupled-cluster library on supercomputing facilities, we have studied the spectral functions of several guanine–cytosine (G–C) base pair structures ([G–C]n, n = 1–3) for the first time in a relatively broad near-valence regime ([−25.0, −5.0] eV) in the coupled-cluster with singles and doubles level. Our focus is to give a preliminary many-body coupled-cluster understanding and guideline of the vertical ionization energy (VIE), spectral profile, and ionization feature changes of these systems as the system size expands in this near-valence regime. The results show that, as the system size expands, even though the lowest VIEs keep decreasing, the changes of spectral function profile and the relative peak positions get unexpectedly smaller. Further analysis of the ionized states associated with the most intensive peak in the spectral functions reveals non-negligible |2h, 1p⟩’s in the ionized wave functions of the considered G–C base pair systems. The leading |2h, 1p⟩’s associated with the main ionizations from the cytosine part of the G–C base pairs feature a transition from the intra-base-pair cytosine π → π* excitation to the inter-base-pair electron excitation as the size of G–C base pairs expands, which also indicates the minimum quantum region in the many-body calculations of DNA systems.

Peng, Bo (ORCID:0000000242267294)↗
DOE OSTI2025

Electrocatalytic CN Coupling: Advances in Urea Synthesis and Opportunities for Alternative Products

Urea is an essential fertilizer produced through the industrial synthesis of ammonia (NH 3 ) via the Haber–Bosch process, which contributes ≈1.2% of global annual CO 2 emissions. Electrocatalytic urea synthesis under ambient conditions via CN coupling from CO 2 and nitrogen species such as nitrate (NO 3 − ), nitrite (NO 2 − ), nitric oxide (NO), and nitrogen gas (N 2 ) has gained interest as a more sustainable route. However, challenges remain due to the unclear reaction pathways for urea formation, competing reactions, and the complexity of the resulting product matrix. This review highlights recent advances in catalyst design, urea quantification, and intermediate identification in the CN coupling reaction for electrocatalytic urea synthesis. Furthermore, this review explores future prospects for industrial CN coupling, considering potential nitrogen and carbon sources and examining alternative CN coupling products, such as amides and amines.

Chemistry↗
DOE OSTI2025

Interlayer Exciton Polarons in Mesoscopic V 2 O 5 for Broadband Optoelectronic Synapses

Persistent photoconductivity and optoelectronic synaptic behavior are demonstrated in solution-processed mesoscopic α-phase vanadium pentoxide (V 2 O 5 ) thin films. First-principles simulations coupled with the two-site Holstein polaron hopping model show that vacancies at the terminal oxygen position lead to long recombination times because photoexcited electrons and holes reside on different layers separated by the van der Waals gap, forming a weakly coupled interlayer exciton polaron. Mid-gap polaronic states also significantly broaden the photoresponse of the films to span across visible and infrared wavelengths. By controlling the amplitude/intensity, duration, and/or number of optical pulses, tunable optoelectronic memory functions, such as short-term and long-term plasticity, are experimentally established in V 2 O 5 -based optoelectronic synapses. Furthermore, device fabrication was extended to mechanically flexible ultrathin glass substrates. Flexible optoelectronic synapses maintained high performance after 150 bending cycles.

Phan, Thanh Luan [National Renewable Energy Labora↗
DOE OSTI2026

A scalable framework for efficient coupling of thermal and microstructural simulations in additive manufacturing

Predicting microstructure evolution in metal additive manufacturing (AM) is important for process optimization, but spatiotemporal scale disparities between thermal transport and microstructure evolution create significant challenges for efficient data transfer between simulation codes. To address this, we present Stork, a scalable framework for coupling thermal and microstructural simulations. Stork uses a sparse data representation to identify and store active solidification sub-volumes, enabling highly parallel quad-linear interpolation from coarse thermal grids to fine microstructure grids without large intermediate storage. We demonstrate the framework by coupling the semi-analytic heat transfer code 3DThesis with the time-parallel cellular automata code Toucan. This approach achieves over two orders of magnitude reduction in data generation time and file size compared to prior workflows. Numerical studies show that quad-linear interpolation preserves grain morphology and crystallographic texture in laser powder bed fusion (LPBF) simulations for coarsening ratios up to 16. Overall, Stork provides a scalable pathway for high-throughput, component-scale AM simulations on modern high-performance computing systems.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Energetic and Spectroscopic Properties of Astrophysically Relevant MgC 4 H Radicals Using High-Level Ab Initio Calculations

Considering the importance of magnesium-bearing hydrocarbon molecules (MgC n H; n = 2, 4, and 6) in the carbon-rich circumstellar envelopes (e.g., IRC+10216), a total of 28 constitutional isomers of MgC 4 H have been theoretically investigated using density functional theory (DFT) and coupled-cluster methods. The zero-point vibrational energy corrected relative energies at the ROCCSD(T)/cc-pCVTZ level of theory reveal that the linear isomer, 1-magnesapent-2,4-diyn-1-yl (1, 2 Σ + ), is the global minimum geometry on the MgC 4 H potential energy surface. The latter has been detected both in the laboratory and in the evolved carbon star, IRC+10216. The calculated spectroscopic data for 1 match well with the experimental observations (error ~ 0.78%) which validates our theoretical methodology. Plausible isomerization processes happening among different isomers are examined using DFT and coupled-cluster methods. CASPT2 calculations have been performed for a few isomers exhibiting multireference characteristics. The second most stable isomer, 1-ethynyl-1λ 3 -magnesacycloprop-2-ene-2,3-diyl (2, 2 A 1 , μ = 2.54 D), is 146 kJ mol –1 higher in energy than 1 and possibly the next promising candidate to be detected in the laboratory or in the interstellar medium in future.

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

Enabling Numerical Modeling of Extreme-Intensity Laser Produced Dense Plasma

We have developed physics models of extreme intensity laser-matter interaction, x-ray and γ-ray emissions, and x-ray absorption (e.g. photoionization and Auger atomic processes). The atomic processes are solved self-consistently with radiation transport, which is coupled to our collisional particle-in-cell code, PICLS. Together with a significantly improved photoionization model our capability of simulation has been extended to account for detailed atomic and radiation physics during intense optical laser-matter interaction and also the XFEL-matter interaction.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Elucidating the Dynamics of Electroweak Symmetry Breaking through Study of High-Multiplicity Boson Final States at the LHC

To understand the full story of the electroweak symmetry breaking (EWSB) and how the universe arrived at today’s universe, the structure of the Higgs potential needs to be probed. We must carefully select and study processes at the LHC that are sensitive to the Higgs potential. In this context, longitudinal vector boson scattering (VBS) processes, V L V L →V L V L , and di-Higgs production, including V L V L →HH at the LHC have been studied for any potential deviation from SM prediction. However, many classes of models beyond the Standard Model (BSM) may result in the 2→2 process being perfectly well-behaved and SM-like but show interesting deviations in 2→3, 2→4, or 2→n(3) processes. If we are to complete the mission objectives the P5 laid out, then a large swath of 2→n(3) must be thoroughly searched and checked. The research supported by this award used data collected at the Compact Muon Solenoid (CMS) detector at the Large Hadron Collider (LHC) to explore VBS produced VVH process in the semi-merged channel. In addition, in the electroweak sector, there are open questions in the multi-gauge boson couplings and the Higgs couplings to the gauge bosons. The research supported by the award also studied the triboson production WWZ process at the LHC, which is a crossed diagram of a VBS process. During the funded period of 9 months, the analysis designs have been finalized.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Root Dynamics Mitigate Warm and Dry Biases over the Central United States

The central United States frequently exhibits warm and dry biases in simulations of summertime conditions, a persistent feature that remains unresolved. While previous studies linked these biases to misrepresented surface energy exchanges, the role of belowground processes remains poorly understood. Here, we demonstrate that inadequate representation of root water uptake in land surface models contributes to this bias. Using both offline Noah-MP and coupled WRF-Noah-MP simulations with static and dynamic root water uptake schemes, we show that the inclusion of dynamic root processes reduces 2-m air temperature biases and enhances precipitation, primarily by increasing the rain rate of convective systems. Offline and coupled simulations further reveal that the cooling effects and precipitation increases are amplified through positive land-atmosphere feedback, active only in the coupled model. These findings highlight an important role of root in modulating land-atmosphere interactions and underscore the need to refine root-zone processes to improve regional atmospheric simulations.

Yang, Zhao (ORCID:0000000288027130)↗
DOE OSTI2021

On-chip non-Hermitian optical parametric amplifiers with a large bandwidth

Recently, our groups have introduced the notion of optical parametric amplification based on non-Hermitian phase matching wherein the incorporation of loss can lead to gain in this nonlinear optical process. Previous simulation results using second-order nonlinear optical coupled-mode theory have demonstrated the potential of this technique as an alternative to the stringent phase-matching condition, which is often difficult to achieve in semiconductor platforms. Here we fortify this notion for the case of third-order nonlinearity by considering parametric amplification in silicon nanowires and illustrate the feasibility of these devices by employing rigorous finite-difference time-domain analysis using realistic materials and geometric parameters. Particularly, we demonstrate that by systematic control of the optical loss of the idler in a four-wave mixing process, we can achieve efficient unidirectional energy conversion from the pump to the signal component even when the typical phase-matching condition is violated. Importantly, our simulations show that a signal gain of ∼ <#comment/> 9 d B for a waveguide length of a few millimeters is possible over a large bandwidth of several hundreds of nanometers ( ∼ <#comment/> 600 n m ). This bandwidth is nearly 2 orders of magnitude larger than what can be achieved in the conventional silicon-photonics-based four-wave mixing process.

Ahmed, Asif (ORCID:0000000152234392)↗
DOE OSTI2026

Octave-spanning terahertz quarter-wave plates based on over-coupled Fabry–Pérot resonances in reflective metal–dielectric–metal metasurfaces

Compact devices for broadband polarization control in the terahertz (THz) regime remain challenging to realize due to the intrinsic phase dispersion associated with birefringent materials and resonant structures. Here, we demonstrate achromatic THz quarter-wave plates with near-unity efficiency and operating under a wide range of incidence angles, based on over-coupled metal–dielectric–metal reflective metasurfaces. The devices operate as single-port anisotropic Fabry–Pérot cavities, in which the phase dispersion of the over-coupled resonances is engineered to maintain an approximately constant relative phase delay between orthogonal field components over a broad frequency range. Four complementary metasurface designs operating at an incidence angle of 45° collectively cover the 0.25–3 THz frequency range accessible to a typical THz time-domain spectroscopy system. Each device exhibits an approximately octave-wide operational bandwidth, with axial ratios below 3 dB and polarization-conversion efficiencies exceeding 80% across most of the operating band. Systematic structural optimization suppresses coupling to diffraction and guided-wave modes, thereby further extending the usable bandwidth while preserving the required phase relationship between orthogonal polarizations. The demonstrated metasurfaces are compatible with wafer-scale fabrication processes, and experimental results show excellent agreement with simulations. These findings establish over-coupled reflective metasurfaces as a robust, scalable, and versatile platform for broadband THz polarization control.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Advanced Structured Adsorbent Architectures for Transformative Carbon Dioxide Capture Performance (Final Report)

Svante is a world leader at using solid sorbents for low-cost Carbon Dioxide (CO 2 ) capture, a technology which is recognized as critical in meeting the dual mandates of energy security/reliability and the mitigation of man-made CO 2 emissions. Svante has been developing proprietary adsorbent material compositions, forming them into structured laminates, developing and optimizing process cycles, and system design for efficient capture of CO 2 from post-combustion flue gases of thermal power plants and industrial facilities. The deployment of first-generation CO 2 capture technology has been significantly hampered by high costs and energy penalties, among other barriers. Second generation CO 2 capture technologies (including the Mark I variant of Svante’s Veloxotherm™ adsorption-based technology), utilizing single adsorbent architecture, show promise for reducing the barriers to deploying CO 2 capture plants in commercially meaningful numbers. The objective of this project was to evaluate the Recipient’s transformational (Mark-II) VeloxoTherm™ Technology via the development and bench-scale testing of an advanced structured adsorbent, including novel Bi-layer, laminated adsorbent structures and segmented beds. Svante selected, synthesized, and characterized tailored solid adsorbents for computational modeling, advanced structured adsorbent development, process simulations, and dynamic bench scale (~1-10 kg/day CO 2 captured) testing using an existing single-bed VeloxoTherm™ Station (VTS) coupled with a natural gas-fired boiler. Segmented beds used the in-house, multi-bed Process Demonstration Unit (PDU) to demonstrate key performance indicators (KPIs), such as recovery, product purity, regeneration energy, and the integrated system's productivity in lifetime analysis. Segmented beds were used at a 1 tonne per day (TPD) unit at an industrial site to provide bench-scale validation of performance in an industrial setting. Svante was developing and optimizing the post-combustion CO 2 adsorption technology architectures, including the Bi-layer and segmented laminated adsorbent structure design, integrated rapid cycle temperature swing adsorption (RC-TSA) cycle, flow path architecture, and adsorbent bed construction and packaging (including gas porting) to progress towards achievement of DOE’s Transformational CO 2 Capture goals of 95% CO 2 purity and a cost of electricity at least 30% lower than a supercritical Pulverized Coal (PC) power plant with CO 2 capture, or approximately $30 per tonne of CO 2 captured ready for demonstration by 2030. The main requirements to reach the DOE target cost of carbon capture below $30/MT using Rapid-Cycling Temperature Swing Adsorption (RC-TSA) are as follows: (1) Increased capacity at different CO 2 concentrations, (2) Increased sorbents cycle life, (3) Increased O 2 resistance, and (4) Decreased steam requirement to extract 1 kg of CO 2 .

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2026

Integrating CO2 Electrolysis with Gas Fermentation to Produce Valuable Fuels and Chemicals

Many industrial activities squander CO2, decreasing process yield. We envision a future where this waste carbon is instead captured, upgraded, and valorized directly at the point of emission. Within the CO2 Reduction and Upgrading Consortium (a collaboration of seven US national laboratories and industrial partners), we are pursuing this goal by developing and de-risking new technologies for low temperature CO2 electrolysis, coupled with biological upgrading of intermediates into more valuable compounds. One such process involves electrocatalytic reduction of CO2 to generate carbon monoxide (CO). As both a carbon and energy source, CO represents an attractive feedstock for microbial upgrading by certain syngas-fermenting species, such as the autotrophic bacterium Clostridium autoethanogenum. Our team has developed new genetic tools and optimized cultivation techniques to enhance C. autoethanogenum as a platform host for the biological conversion of syngas into value-added products. For example, we have created novel CRISPR-based genetic engineering techniques to build new, genome-reduced, platform strains of C. autoethanogenum with improved growth rates. Further, we ve introduced heterologous biochemical pathways into C. autoethanogenum to enable the production of high-value compounds from syngas, such as the isoprenoid precursor mevalonic acid. With the tools of electrochemistry and synthetic biology, there is virtually no limit to the spectrum of products that could be sustainably manufactured from CO2.

09 BIOMASS FUELS↗
DOE OSTI2023

Use of Stable Mercury Isotopes to Assess Mercury and Methylmercury Transformation and Transport across Critical Interfaces from the Molecular to the Watershed Scale (Final Report)

This project titled “Use of Stable Mercury Isotopes to Assess Mercury and Methylmercury Transformation and Transport across Critical Interfaces from the Molecular to the Watershed Scale” represents a collaborative effort between the University of Michigan (Jason Demers, PI) and Oak Ridge National Laboratory (Scott Brooks, co-I). Much has been learned about mercury (Hg) cycling in stream ecosystems, and East Fork Poplar Creek (EFPC) in particular, through decades of previous research. Nevertheless, some of the most fundamental questions regarding the sources of bioavailable Hg and its transformation to toxic methylmercury (MeHg) have remained unanswered. These fundamental questions include: (1) what are the sources and biogeochemical processes that lead to the input of dissolved Hg to stream water across critical subsurface interfaces within stream ecosystems, and EFPC in particular? and (2) what are the sources and biogeochemical processes that control the production and fate of bioaccumulative MeHg within stream ecosystems, and in EFPC in particular? To address these fundamental questions, our project aimed to couple laboratory experiments and field observations, both utilizing natural abundance Hg stable isotope techniques, to identify the processes responsible for generating mobile, bioavailable dissolved Hg from recalcitrant legacy sources within critical subsurface zones (e.g., streambed hyporheic zone, riparian floodplain subsurface). We used the isotopic signature of this bioavailable dissolved Hg to track its mobilization across these critical interfaces in order to link diffuse subsurface sources of dissolved Hg with increases in surface water dissolved Hg flux measured at the watershed scale. Additionally, our research aimed to determine the isotopic composition of MeHg within these same critical subsurface zones. We directly assessed the isotopic composition of MeHg within biota in order to gain insight into which subsurface sources of inorganic Hg and toxic MeHg are available for bioaccumulation within the EFPC ecosystem. Net fluxes of dissolved Hg along the flow path of EFPC were shown to vary spatially and temporally. In the Upper EFPC, within the Y12 boundary, stream water flux of dissolved Hg consistently decreased between the outfall and the downstream boundary of Y12 (57% ± 29%, 1SD). Within the Upper EFPC, an assessment of Hg isotopic composition suggested that losses were strongly reaction-driven, although isotopic diagnostics did not conform to any known processes. Downstream of Y12, in the upper reach of the Lower EFPC, dissolved Hg fluxes tended to increase during the dormant season (net gain of 11-120%), and decrease during the growing season (net loss of 23% +/- 18%, 1SD). In the downstream-most reach of Lower EFPC, dissolved Hg fluxes increased by 12-108% in 9 out of 10 monthly assessments. Overall, diffuse fluxes from the non-Y12 watershed accounted for 34% (+/- 17%, 1SD) of all dissolved Hg exported during base flow. Within Lower EFPC, an assessment of Hg isotopic composition was consistent with the contribution of diffuse Hg inputs from high-concentration hotspots within riparian floodplains and streambed hyporheic pore water. To investigate remobilization of recalcitrant Hg from legacy sediment sources, we developed procedures that coupled isotopic analysis with sequential extractions of streambed sediment. We found that the proportion of weakly-bound Hg within EFPC streambed sediment was relatively small, but could still account for a large proportion of the annual flux of dissolved Hg from EFPC. These sequential extractions also showed that this weakly-bound Hg fraction could be replenished from the much larger fraction of recalcitrant Hg in sediment. The isotopic composition of these weakly-bound and remobilized recalcitrant Hg fractions within the sediment was consistent with high-concentration dissolved Hg hotspots within hyporheic pore water. Thus, this research provided novel evidence that legacy mercury sources within streambed sediment could provide an ongoing contribution of dissolved Hg to surface waters. Finally, we developed new methods for the direct determination of the MeHg isotopic composition of organisms, which allowed a more direct evaluation of inorganic Hg and MeHg sources accumulating in the food web. We found that fish and aquatic invertebrates in both EFPC and a regional background site obtained inorganic Hg and MeHg from multiple isotopically distinct sources, including sediment, suspended particulates, and periphyton. Photodemethylation was found to be an important reaction influencing MeHg dynamics at both sites. However, the balance of microbial methylation and demethylation processes differed between the two streams, with fractionation resulting from methylation and demethylation processes being relatively in balance within the regional background site, whereas microbial methylation appeared to be dominant over microbial demethylation within the EFPC ecosystem. Broadly, the application of Hg isotopic analysis in this study led to numerous novel insights regarding the biogeochemical cycling of Hg in stream ecosystems. This research project promoted the development of two new approaches, including the coupling of sequential extractions with Hg isotopic analysis to assess remobilization of recalcitrant Hg within sediments, and a new method for the isotopic analysis of MeHg isolated from environmental samples. Both of these efforts represent advances in capacity for the field of mercury isotopic analysis and environmental assessment. Overall, this study demonstrates that the application of Hg stable isotope techniques continues to provide new insights into the biogeochemical cycling of Hg in complex aquatic environments, both within the EFPC and beyond.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Search for the nonresonant production of Higgs boson pairs via gluon fusion and vector-boson fusion in the $b\bar{b}$τ + τ – final state in proton-proton collisions at $\sqrt{s}$ = 13 TeV with the ATLAS detector

A search for the nonresonant production of Higgs boson pairs in the HH → $b\overline{b}$$\tau^{+}\tau^{-}$ channel is performed using 140 fb -1 of proton-proton collisions at a center-of-mass energy of 13 TeV recorded by the ATLAS detector at the CERN Large Hadron Collider. The analysis strategy is optimized to probe anomalous values of the Higgs boson self-coupling modifier $\kappa_{\tau}$ and of the quartic HHVV (v = W,Z) coupling modifier $\kappa$ 2⁢V . No significant excess above the expected background from Standard Model processes is observed. An observed (expected) upper limit μ HH < 5.9⁢(3.3) is set at 95% confidence-level on the Higgs boson pair production cross section normalized to its Standard Model prediction. The coupling modifiers are constrained to an observed (expected) 95% confidence interval of -3.1 <$\kappa_{\tau}$ < 9.0 (-2.5 < $\kappa_{\tau}$ < 9.3) and -0.5 <$\kappa$ 2⁢V < 2.7 (-0.2 <$\kappa$ 2⁢V < 2.4), assuming all other Higgs boson couplings are fixed to the Standard Model prediction. The results are also interpreted in the context of effective field theories via constraints on anomalous Higgs boson couplings and Higgs boson pair production cross sections assuming different kinematic benchmark scenarios.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Boundary-Layer-Coupled and Decoupled Clouds in Global Storm-Resolving Models: Comparisons With the ARM Observations

The accurate representation of interactions between clouds and planetary boundary layer (PBL) is a persistent challenge in climate models, critical for simulating surface energy budget. The emergence of kilometer-grid-scale global storm resolving models (GSRMs) offers the potential for enhanced details of PBL processes in these complex interactions. This study evaluates the representation of PBL-coupled and decoupled clouds in nine GSRM simulations against extensive ground-based observations by the Department of Energy Atmospheric Radiation Measurement (ARM) program, across six sites encompassing diverse regimes such as marine and continental environments in tropics and midlatitude. By differentiating coupling based on the relative positions between cloud bases and PBL tops, our analysis focuses on the simulation of PBL height, cloud frequency, position and vertical extent. The GSRMs generally exhibit commendable agreements with observed cloud structures and PBL diurnal cycles across different ARM sites. In contrast to the relatively consistent representation of decoupled clouds, discrepancies exist between the simulated and the observed coupled clouds, particularly in areas of intense convection, for example, over tropical rainforests and mountainous regions. These biases are probably associated with the models' tendency to underestimate the boundary layer humidity and the frequency of coupled clouds within different ranges of PBL heights. This study underscores the importance for continuous improvements in the representation of boundary layer and convection within these global kilometer-grid-scale models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Using Ultrasonics to Optimize the Processing Parameters of Thermoset Polymers [Slides]

Ultrasonics is used as a non-destructive evaluation method to improve our understanding of polymers. Coupling ultrasonics and FTIR can help determine which bonds are more relevant to the mechanical properties of the polymer. Modeling the cure kinetics can determine if the curing process of a sample deviates from the baseline. Cure kinetics influence the final chemical structure of the polymer. This method opens a new pathway to design and adapt polymers for high demanding applications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Optimizing molecular light absorption in the strong coupling regime for solar energy harvesting

The strong coupling of optical absorbers (e.g., molecules or semiconductors) to confined photonic modes fundamentally alters the physical properties of the coupled system via the formation of hybrid light-matter states. One potential application of strong light-matter coupling relies on exploiting it to localize light-induced charge excitation processes to small volumes of material. Applications that would benefit from this localization include thin-film photovoltaics, photodetection, photocatalysis, and others, where the overall performance depends on the ability of a material to amplify light absorption (i.e., the formation of electron-hole pairs) within specific locations in space. This contribution investigates how strong light-matter coupling affects light absorption rates in molecular absorbers coupled to photonic nanostructures. Here, our results show that the molecular light absorption efficiencies are highest in configurations where the strongly coupled molecules interact directly with the incoming photon flux. We also identify a nonlinear dependence in the molecular absorption as a function of concentration, unique to the strongly coupled systems. Based on these results, we propose design principles for engineering nanostructured systems that allow for high efficiencies of charge carrier localization into strongly coupled absorbers.

14 SOLAR ENERGY↗