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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

De novo design of proteins housing excitonically coupled chlorophyll special pairs

Natural photosystems couple light harvesting to charge separation using a ‘special pair’ of chlorophyll molecules that accepts excitation energy from the antenna and initiates an electron-transfer cascade. To investigate the photophysics of special pairs independently of the complexities of native photosynthetic proteins, and as a first step toward creating synthetic photosystems for new energy conversion technologies, we designed C 2 -symmetric proteins that hold two chlorophyll molecules in closely juxtaposed arrangements. X-ray crystallography confirmed that one designed protein binds two chlorophylls in the same orientation as native special pairs, whereas a second designed protein positions them in a previously unseen geometry. Spectroscopy revealed that the chlorophylls are excitonically coupled, and fluorescence lifetime imaging demonstrated energy transfer. The cryo-electron microscopy structure of a designed 24-chlorophyll octahedral nanocage with a special pair on each edge closely matched the design model. The results suggest that the de novo design of artificial photosynthetic systems is within reach of current computational methods.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Gold-Induced Chemical Perturbations in CdTe-Based Photovoltaic Cells

Back-contacting p-type CdTe has been identified as one of the major areas of loss in CdTe photovoltaic (PV) power conversion efficiency (PCE). In research settings, Au is a common contact material due to its ease of use and decent performance. This work provides a detailed investigation into using gold for back contacting As-doped, CdCl 2 -treated, polycrystalline CdTe that has been exposed to air after absorber processing, another routine practice. First, X-ray photoemission spectroscopy (XPS) is used to determine the native oxide to be 1.6 nm of CdTeO 3 by using a combination of angle-resolved XPS and the cadmium-modified Auger parameter. During gold metallization of CdTe, oxygen and oxidized tellurium are eliminated from the thin CdTeO 3 native oxide. The fates of the released oxygen and possibly cadmium and tellurium are not known, but these reaction byproducts can enter the absorber bulk or grain boundaries, stay at the interface, or dissolve in the Au. Interfacial hole barriers between CdTe and Au are measured for samples with and without the native oxide present prior to metallization. Results show that the thin CdTeO 3 alleviates the downward band bending by 40 meV from 470 to 430 meV even though it is consumed during interface formation. The implications of these chemical reactions on the device are assessed through photoluminescence (PL) spectroscopy, which shows losses in internal open circuit voltage (iVoc) from 820 to 795 meV, carrier lifetime from 123 to 45 ns, and PL quantum yield from 2.9 × 10 −5 to 1.2 × 10 −5 . Modeling timeresolved PL lifetimes demonstrates the back surface recombination velocity due to metallization reduces minority carrier lifetimes. These results identify the native oxide and show that it plays an important role in mediating downward band bending along with how the back interface reaction can negatively impact device-scale parameters and reduce PV PCE.

14 SOLAR ENERGY↗
DOE OSTI2024

The Iowa Tribe of Kansas and Nebraska: Advancing Clean, Resilient, and Sovereign Energy

The Iowa Tribe of Kansas and Nebraska (ITKN) is a federally recognized Native American Tribe located along the Missouri River on the border of northeast Kansas and southeastern Nebraska. There are over 800 residents (Tribal citizens and non-Tribal) who live on the reservation, as well as more than 500 people who visit or work on the reservation on a daily basis. The ITKN faces many energy challenges, including rising service costs and dozens of power outages annually that impact resident well-being and business activities on Tribal lands. Power service issues are made more challenging by the remoteness of the reservation, which is 20 miles from the nearest town. Despite this, the ITKN has a long history of cultural and economic resilience: Local self-reliance, environmental stewardship, respecting the carrying capacity of the land, and strengthening the community are Tribal communities' traditional strengths. Long-term energy goals for the ITKN are centered around achieving energy sovereignty. Priority actions include: (1) Establishing a Tribal Utility Authority (TUA) to promote social welfare and community development.; (2) Deploying renewable community microgrids with ground-mount solar arrays and sustainable energy storage systems to advance energy sovereignty, resilience, and reliability. To advance these goals, the ITKN partnered with the U.S. Department of Energy's (DOE's) Communities LEAP (Local Energy Action Program) pilot. From August 2022 to March 2024, the ITKN community coalition collaborated with technical assistance providers at DOE's National Renewable Energy Laboratory (NREL) and Sandia National Laboratories to evaluate TUA planning needs and microgrid deployment scenarios. This fact sheet provides an overview of the results and outcomes from the Communities LEAP technical assistance process.

Communities Leap↗
NASA NTRS2023

Predicting Patterns of Solar Energy Buildout to Identify Opportunities for Biodiversity Conservation

The construction of solar energy facilities can have positive or negative impacts on biodiversity depending on siting and associated land use transitions. We identified drivers of solar siting and quantified patterns of buildout in states surrounding the Chesapeake Bay watershed – a biodiversity hotspot with numerous ecosystem services. Using a convolutional neural network, we mapped the footprints of ground-mounted solar arrays present in satellite imagery annually from 2017 to 2021 in Delaware, Maryland, Pennsylvania, New York, Virginia, and West Virginia. As of 2021, we identified 958 solar arrays covering 52.3 km2 built primarily on previously cultivated land, while avoiding natural landcover. We fit a binomial-Weibull model to these solar timeseries data in a hierarchical, Bayesian framework to quantify the relationship between geospatial covariates and rate of solar development. Solar array construction rate increased in cultivated areas, areas of lower agricultural suitability, lower slope, lower forest cover, lower biodiversity protection, and greater distances from roads. We also estimated changes in the rate of solar construction over time and found differences among states: acceleration in Virginia and deceleration in New York. We used parameter estimates to map the relative likelihood of future solar development across the study area. This methodology can be used to anticipate where solar is likely to be built in different landscapes and how these patterns align with conservation goals. Around the Chesapeake Bay watershed, the selection of lower quality agricultural areas for solar energy minimizes removal of important habitat and provides opportunities for native plant and pollinator restoration.

Artificial Intelligence↗
DOE OSTI2021

Using a Coarse-Grained Modeling Framework to Identify Oligomeric Motifs with Tunable Secondary Structure

Coarse-grained modeling can be used to explore general theories that are independent of specific chemical detail. In this paper, we present cg_openmm, a Python-based simulation framework for modeling coarse-grained hetero-oligomers and screening them for structural and thermodynamic characteristics of cooperative secondary structures. cg_openmm facilitates the building of coarse-grained topology and random starting configurations, setup of GPU-accelerated replica exchange molecular dynamics simulations with the OpenMM software package, and features a suite of postprocessing thermodynamic and structural analysis tools. In particular, native contact analysis, heat capacity calculations, and free energy of folding calculations are used to identify and characterize cooperative folding transitions and stable secondary structures. In this work, we demonstrate the capabilities of cg_openmm on a simple 1–1 Lennard-Jones coarse-grained model, in which each residue contains 1 backbone and 1 side-chain bead. By scanning both nonbonded and bonded force-field parameter spaces at the coarse-grained level, we identify and characterize sets of parameters which result in the formation of stable helices through cooperative folding transitions. Furthermore, we show that the geometries and stabilities of these helices can be tuned by manipulating the force-field parameters.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Overview of Solar Panel Recycling for Indigenous Communities

In recent years, Native tribes across the country have embraced solar energy to power their communities. However, in approximately 25-30 years after installation, the solar panels will enter end-of-life (EOL) status, meaning that they will begin to operate less efficiently than upon initial implementation. At this point, tribes can determine the outcome: they can continue to operate the array, or they can dispose of the panels. Recycling is an option that promotes the use of high-value recyclable materials in solar panels in the circular economy. There are several companies across the US that offer recycling of solar panels, but at various costs. It is important that a hazardous waste expert makes an initial assessment of the solar array to identify any solar panels that cannot be recycled. Currently, recycling solar panels is not cost-effective or environmentally sustainable, but significant research into improving the cost and carbon footprint is ongoing.

14 SOLAR ENERGY↗
NASA NTRS2020

Flight Readiness of Mochii ISS-NL Portable Spectroscopic Electron Microscope

Electron microscopes (EM’s), are workhorse tools serving diverse fields such as materials science, biological science, and engineering. Scanning EM’s (SEM’s) in particular enable high magnification study and pinpoint chemical analyses of structures down to the nanoscale by providing a powerful blend of strong optical scattering, high native resolution, large depth of focus, and energy-dispersive X-ray spectroscopy (EDS). Mochii is the world’s smallest production electron microscope, scheduled to travel to the International Space Station (ISS) this spring where it will serve as an ISS National Laboratory (ISSNL) microgravity facility on successful demonstration. We previously reported on progress preparing Mochii for space flight, in particular flight integration verifications and science application testing. These included standard integration testing such as electromagnetic interference and flight vibration, and extend to unique functional testing such as magnetic susceptibility and extreme analog environment testing under the sea. Presently, Mochii payload flight hardware has completed testing and was handed over to NASA’s ISS payload processing facility in Houston. It will make its way to the the east coast for launch currently scheduled on Space-X CRS-20 for Mission increment 62 in March 2020.

Own, C. S.↗
DOE OSTI2025

Reducing Dark Conductivity of Cesium Tin Halide Perovskites with Donor Doping

The inorganic tin halide perovskites (such as Cs Sn Br 3 and Cs Sn I 3 ) exhibit high hole concentrations, which have been attributed to the presence of intrinsic defects such as cation vacancies. Despite their promise as photovoltaic materials, this high intrinsic conductivity limits deployment. Using hybrid density functional theory, we examine the impact of these intrinsic defects on the electronic properties of Cs Sn Br 3 and Cs Sn I 3 . We find that tin and cesium vacancies have low formation energies, especially under Sn -poor conditions, in agreement with prior work, and that the presence of these native acceptor defects can lead to high hole concentrations. However, effective donor doping of these systems can be obtained via Sc or Y incorporation. These impurities substitute on the Sn site, where they act as single donors. By examining the formation energy of these dopants versus the native defects, we show that Sc or Y doping should lead to a strong compensation, reducing hole concentrations under Sn -rich conditions. Published by the American Physical Society 2025

Lyons, John L. (ORCID:0000000180233055)↗
DOE OSTI2026

Contrasting Carbon–Water–Energy Dynamics in Perennial and Annual Bioenergy Agroecosystems Using Eddy Covariance and Interpretable Machine Learning

Understanding how agroecosystems respond to environmental variability is fundamental to predicting productivity and sustainability under a changing climate. We analyzed 55 site-years of high-frequency eddy covariance observations from five agroecosystems—two perennial grasses (miscanthus and switchgrass), two annual rotation systems (maize–soybean and sorghum–soybean), and a restored native prairie—to examine ecosystem-scale carbon, water, and energy fluxes. Using an interpretable machine-learning framework with regression tree ensembles, Shapley Additive Explanations, and Accumulated Local Effects, we quantified how environmental and temporal factors regulate gross primary productivity (GPP), evapotranspiration (ET), water-use efficiency, and the Bowen ratio. Perennials exhibited stronger physiological buffering and maintained fluxes across a broader range of temperature and moisture conditions, reflecting deeper rooting and persistent canopy cover. Annuals, in contrast, showed greater short-term variability and stronger coupling to atmospheric demand, with GPP and ET declining rapidly under low humidity or soil moisture. Differences in temperature sensitivity of Bowen ratio further revealed that perennials sustained proportionally greater sensible heat flux under cool conditions, whereas annuals exhibited constrained energy exchange when evaporative demand was low. Together, these results demonstrate that crop life cycle and canopy structure are fundamental determinants of ecosystem-scale carbon–water–energy coupling. By integrating long-term flux observations with interpretable machine learning, this study identifies the environmental drivers that shape agroecosystem function and highlights how conversion from annual to perennial feedstocks can enhance climatic resilience and alter land–atmosphere energy feedbacks. These findings provide a data-driven basis for improving crop and Earth-system models and for guiding bioenergy landscape design under future climate scenarios.

Accumulated Local Effects↗
DOE OSTI2025

Strategies for Superconducting Transmon Qubits with Millisecond T$_1$ Relaxation Time

Significant strides have been made in extending qubit lifetimes by mitigating lossy materials at various surfaces and interfaces of superconducting transmon qubits. We have recently demonstrated a five-fold improvement of T$_1$ energy relaxation time by encapsulating the Nb surface to prevent native oxide formation. To further extend qubit coherence to millisecond timescales and beyond, we are actively exploring novel strategies. Such strategies include substrate preparation, alternative materials as low loss platforms, novel non-oxide forming low loss capping layers, optimized qubit designs & qubit packaging, and optimized Josephson junction materials, processing, and design. Qubit relaxation time T$_1$ measurements will be reported with best T$_1$’s in excess of a millisecond. This material is based upon work supported by the U.S. Department of Energy, Office of Science, National Quantum Information Science Research Centers, Superconducting Quantum Materials and Systems Center (SQMS) under contract number DE-AC02-07CH11359.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Tailoring the Physicochemical Properties of Nb Thin Films via Surface Engineering Methods

The modification of surface oxide layers formed on niobium (Nb) thin films via chemical mechanical planarization (CMP) and accelerated neutral atom beam (ANAB) processing provides a promising route toward tailoring their emergent properties and performance when used as superconducting qubits. Here, in this study, we show that CMP- and ANAB-formed Nb oxides are significantly thinner and smoother than the native oxide, as revealed by transmission electron microscopy (TEM) and atomic force microscopy. Scanning TEM and energy-dispersive X-ray spectroscopy along with X-ray photoelectron spectroscopy identified an oxidation gradient within the native and surface-engineered oxides. The topside layer is dominated by Nb 5+ (Nb 2 O 5 ), with various Nb suboxides present closer to the oxide/metal interface. Time-of-flight secondary ion mass spectrometry (ToF-SIMS) depth profiling confirmed the presence of an oxygen content gradient and demonstrated the enhanced resistance of the CMP- and ANAB-formed oxides to oxygen surface exchange and subsequent diffusion via 18 O 2 isotopic labeling experiments. ToF-SIMS also identified an interfacial layer containing trapped hydrogen (H)-containing species at the Nb oxide/metal interface. In situ ToF-SIMS and TEM revealed migration of the H/OH interfacial layer coinciding with decomposition of the surface oxide. Furthermore, our density functional theory calculations indicated that both H from moisture present in ambient air and bulk H in Nb films tend to segregate at the interface. These findings underscore the importance of understanding surface oxidation mechanisms, hydrogen incorporation, and their impact on the designed functionalities of Nb-based devices.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Two- and three-body fragmentation of multiply charged tribromomethane by ultrafast laser pulses

We investigate the two- and three-body fragmentation of tribromomethane (bromoform, CHBr 3 ) resulting from multiple ionization by 28-femtosecond near-infrared laser pulses with a peak intensity of 6 × 10 14 W cm -2 . The analysis focuses on channels consisting exclusively of ionic fragments, which are measured by coincidence momentum imaging. The dominant two-body fragmentation channel is found to be Br + + CHBr 2 +. Weaker HBr + + CBr 2 +, CHBr + + Br 2 +, CHBr 2+ + Br 2 +, and Br + + CHBr 2 2+ channels, some of which require bond rearrangement prior to or during the fragmentation, are also observed. The dominant three-body fragmentation channel is found to be Br + + Br + + CHBr + . This channel includes both concerted and sequential fragmentation pathways, which we identify using the native frames analysis method. We compare the measured kinetic energy release and momentum correlations with the results of classical Coulomb explosion simulations and discuss the possible isomerization of CHBr 3 to BrCHBr–Br (iso-CHBr 3 ) prior to the fragmentation.

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

Overcoming the doping limit in GaAs by ion implantation and pulsed laser melting

Most semiconductors exhibit a saturation of free carriers when heavily doped with extrinsic dopants. This carrier saturation or “doping limit” is known to be related to the formation of native compensating defects, which, in turn, depends on the energy positions of their conduction band minimum and valence band maximum. Here, we carried out a systematic study on the n-type doping limit of GaAs via ion implantation and showed that this doping limitation can be alleviated by the transient process of pulsed laser melting (PLM). For n-type doping, both group VI (S) and amphoteric group IV (Si and Ge) dopants were implanted in GaAs. For comparison, p-type doping was also studied using Zn as the acceptor. Implanted dopants were activated by the PLM method, and the results are compared to rapid thermal annealing (RTA). Our results reveal that for all n-type dopants, while implantation followed by the RTA results in a similar saturation electron concentration of 2–3 × 10 18 cm –3 , the transient PLM process is capable of trapping high concentration of dopants in the substitutional site, giving rise to a carrier concentration of >10 19 cm –3 , exceeding the doping limit of GaAs. However, due to scatterings from point defects generated during PLM, the mobility of n-type GaAs after PLM is low (~80–260 cm 2 /V s). Subsequent RTA after PLM (PLM + RTA) is able to remove these point defects and recover the mobility to ~1000–2000 cm2/V s. The carrier concentrations of these PLM + RTA samples are reduced but are still a factor of 3 higher than RTA only GaAs. This can be understood as the dopants are already incorporated in the substitutional site after PLM; they are less likely to be “deactivated” by subsequent RTA. This work is significant to the understanding of doping mechanisms in semiconductors and provides a means for device applications, which require materials with ultra-high doping.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1980

Socioeconomic impact of photovoltaic power at Schuchuli, Arizona

The social and economic impact of photovoltaic power on a small, remote native American village is studied. Village history, group life, energy use in general, and the use of photovoltaic-powered appliances are discussed. No significant impacts due to the photovoltaic power system were observed.

Bahr, D.↗
NASA NTRS2023

Unalakleet Climate: Analyzing Permafrost Degradation and Drainage Networks in Unalakleet, Alaska

The coastal community of Unalakleet is currently the 8th most at-risk community in Alaska due to the adverse effects of climate change that include permafrost degradation, severe coastal erosion, and sea-level rise-induced flood inundation caused by increasingly frequent storm surges. In response, the community has started a managed relocation with support from the Native Village of Unalakleet (NVU) and the National Renewable Energy Lab (NREL)’s Alaska campus in Fairbanks. The Unalakleet Climate NASA DEVELOP team partnered with NREL to provide remote sensing support and analysis for resilience planning in Unalakleet, supporting their ongoing relocation efforts and guiding future expansion. The team utilized Sentinel-1 C-Synthetic Aperture Radar (SAR), WorldView-2, and WorldView-3 datasets from 2017 – 2023 to analyze seasonal summer subsidence and utilized a 2014 Ancillary USGS 5 m Alaska DEM to conduct drainage network analyses that included watershed delineation and Height Above Nearest Drainage (HAND) analysis. The team also used high-resolution WorldView images to locate stable reference points that served as quality control for the team’s analyses. The team’s end products included maps containing subsidence and drainage zones information at and surrounding the relocation site. The team’s products provide NREL with valuable data that enables them to better assist Unalakleet’s managed relocation and assists Unalakleet with adapting to the catastrophic effects of climate change and build resilience in a community on the front lines of climate change.

Ian Lee↗
DOE OSTI2023

Milestone 1.2.14: Surface Characterization of Irradiated Surrogate Non-Native Corrosion Plumes on Aluminum 6061-T6 Specimens

The United States Department of Energy is seeking to evaluate the feasibility of extended dry storage of aluminum-clad spent nuclear fuel (ASNF) in helium-backfilled cannisters. A significant research effort has been devoted to determining the amount of radiation-induced molecular hydrogen generation from corrosion layers that would be present on the fuel assembly surfaces. However, to date, no evidence of radiation-induced changes in the microstructure of the corroded aluminum surfaces have been reported. This report provides surface characterization, in terms of corrosion layer composition and morphology, for aluminum alloy 6061-T6 “plume” samples subjected to one of three potential ASNF drying techniques—“vacuum only”, “vacuum + 4 hours at 100 oC”, and “vacuum + 4 hours at 220 oC”—and gamma irradiated (= 53 MGy) in the presence of helium gas with ~0% added relative humidity. At these high absorbed gamma doses, for the first time ever, radiation-induced circular defects were found on the sample surface, regardless of the drying regime employed. Additionally, large cracks that penetrated through the corrosion layer to expose bare aluminum metal were observed in irradiated “plume” specimens subjected to drying conditions of “vacuum + 4 hours at 220 oC”. The nature and implications of these defects on the extended dry storage of ASNF is unclear, requiring further study.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2023

Climate cooling benefits of cellulosic bioenergy crops from elevated albedo

Abstract Changes in land surface albedo can alter ecosystem energy balance and potentially influence climate. We examined the albedo of six bioenergy cropping systems in southwest Michigan USA: monocultures of energy sorghum ( Sorghum bicolor ), switchgrass ( Panicum virgatum L.), and giant miscanthus ( Miscanthus × giganteus) , and polycultures of native grasses, early successional vegetation, and restored prairie. Direct field measurements of surface albedo ( α s ) from May 2018 through December 2020 at half‐hourly intervals in each system quantified the magnitudes and seasonal differences in albedo (∆ α ) and albedo‐induced radiative forcing (RF ∆ α ). We used a nearby forest as a historical native cover type to estimate reference albedo and RF ∆ α change upon original land use conversion, and a continuous no‐till maize ( Zea mays L .) system as a contemporary reference to estimate change upon conversion from annual row crops. Annually, α s differed significantly ( p < 0.05) among crops in the order: early successional (0.288 ± 0.012SE) >> miscanthus (0.271 ± 0.009) ≈ energy sorghum (0.270 ± 0.010) ≥ switchgrass (0.265 ± 0.009) ≈ restored prairie (0.264 ± 0.012) > native grasses (0.259 ± 0.010) > maize (0.247 ± 0.010). Reference forest had the lowest annual α s (0.134 ± 0.003). Albedo differences among crops during the growing season were also statistically significant, with growing season α s in perennial crops and energy sorghum on average ~20% higher (0.206 ± 0.003) than in no‐till maize (0.184 ± 0.002). Average non‐growing season (NGS) α s (0.370 ± 0.020) was much higher than growing season α s (0.203 ± 0.003) but these NGS differences were not significant. Overall, the original conversion of reference forest and maize landscapes to perennials provided a cooling effect on the local climate (RF αMAIZE : −3.83 ± 1.00 W m −2 ; RF αFOREST : −16.75 ± 3.01 W m −2 ). Significant differences among cropping systems suggest an additional management intervention for maximizing the positive climate benefit of bioenergy crops, with cellulosic crops on average ~9.1% more reflective than no‐till maize, which itself was about twice as reflective as the reference forest.

Lei, Cheyenne↗
DOE OSTI2025

Low-energy electron driven reactions in 2-bromo-5-nitrothiazole

Thiazole derivatives are biologically relevant molecules, used also in pharmaceutical applications. Herein, we report results for electron attachment to 2-bromo-5-nitrothiazole (BNT) in the gas phase. Employing two crossed electron–molecule beam experiments, we determined the efficiency curves of various fragment anions as a function of the initial electron energy between about 0 and 10 eV as well as the emission angle and kinetic energy distributions of Br− and NO2− ions formed from a resonance near 4 eV. The experiments were supported by quantum chemical calculations, exploring possible dissociation pathways along with their reaction energies. We also compared the electron attachment characteristics of BNT with those of the native thiazole molecule by performing electron attachment experiments and calculations for this molecule as well. Compared to thiazole, which is primarily degraded only by electrons with kinetic energies between about 5 and 10 eV, BNT is susceptible to low-energy electrons near 0 eV with enhanced cross section for (dissociative) electron attachment. However, although BNT offers two localization sites with high electron affinity (Br and NO2 moieties), we do not find the corresponding anions as the dominant negatively charged species formed upon electron attachment. Instead, the reaction channels with an abstraction of Br and NO2 as neutral radicals prevail, accompanied by the opening of the thiazole ring due to the relatively weak C–S bond.

Chen, Jiakuan (ORCID:0009000729608641)↗