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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 127 records · Page 7

Chapter 1: Halide Organic Photovoltaics for Energy: Hybrid Perovskites for Solar Cells

The following sections are included: Fundamentals of Photovoltaics, What Limits PV Device Efficiencies?, Traditional Photovoltaics, Perovskite Halide-Based Hybrid Semiconductors for Photovoltaics: Novel Materials in a League of Their Own, Solution Processability, Tunability, Perovskite Solar Cell Architectures, Pairing Perovskite Absorbers, Reduction/Oxidation and Electrochemical Reactivity Considerations for High-Performance Halide Perovskite Solar Cells, Metal Electrode Corrosion, Proton-Mediated Reduction of Ni3+ at NiOx Interfaces, Electrochemistry in Solid-State Perovskite Devices, Overview of Stability Considerations for High Performance Perovskite Solar Cells, Moisture-Induced Degradation, Oxygen-Mediated Degradation, Illumination-Dependent Degradation, Bias-Dependent Degradation, Stability Considerations for Charge Selective Contacts, Electrode-Induced Degradation Modes, Conclusion, and References.

absorbers↗

Package Development for Reliability Testing of Perovskites

Metal halide perovskite solar cells have reached a critical point in their development. At a current certified record efficiency of 25.7% for a single-junction, research-scale cell, they now garner serious attention from the solar cell industry as a promising route to widespread, low-cost photovoltaics in single- or tandem-junction configurations. However, more work to demonstrate their durability under real-world outdoor test conditions is necessary to ensure the long-term success and deployment of the technology. Differences in chemistry, processes, and their combination result in unique performance limiters for both efficiency and stability. Further, as many active formulations and layer/cell stack combinations are sensitive to temperature, air, and moisture, it is important to separate intrinsic limitations to stability relative to these extrinsic sources. This presents a particular need for the development of an appropriate and reliable package for environmental (i.e., accelerated and outdoor) testing that will permit these different factors to be evaluated and understood.

14 SOLAR ENERGY↗

Physiochemical Machine Learning Models Predict Operational Lifetimes of CH3NH3PbI3 Perovskite Solar Cells

Halide perovskites are promising photovoltaic (PV) materials with the potential to lower the cost of electricity and greatly expand the penetration of PV if they can demonstrate long-term stability under illumination in the presence of moisture and oxygen. The solar cell service lifetime as quantified by the T80 (the time required for the power conversion efficiency to drop to 80% of its starting value) is a useful metric to assess stability. The T80 for utility, commercial, or residential PV systems needs to be several decades in order to yield low-cost electricity, and thus it is not practical to directly measure the T80. It would be useful if T80 could be predicted from the initial dynamics of a solar cell’s performance, but until now no models have been developed to forecast T80. In this work, we report the development of machine learning models to predict T80 of ITO/NiOx/CH3NH3PbI3/C60/BCP/Ag solar cells operating at maximum power point under 1-sun equivalent photon flux in air at varying temperatures and relative humidities. Efficiency losses are driven by short-circuit current and fill factor, indicating that chemical decomposition of the perovskite is a major contributor to degradation. Spatial patterns evident from in situ dark field optical microscopy suggest that the electric field gradient at device edges plays a significant role in perovskite decomposition, along with photochemical reactions with O2 and H2O. Models are trained using a menu of features from three distinct categories: (i) features based on measurements of the initial rates of change of device parameters, (ii) features based on the ambient conditions during operation (temperature, & partial pressure of H2O), and (iii) features based on underlying physics and chemistry. We show that a theory-based physiochemical feature derived from a model of the chemical reaction kinetics of the rate of degradation of the CH3NH3PbI3 is particularly valuable for prediction. This physiochemical feature was selected as the first or second most dominant feature in the best performing models. With a dataset consisting of 45 accelerated degradation experiments with T80 that range over a factor of 30, the model predicts T80 with an accuracy of about 40% (|predicted T80 - observed T80| / observed T80) on samples not used in training. This hybrid ML approach should be effective when applied to other compositions, device architectures, and advanced packaging schemes.

14 SOLAR ENERGY↗

Physiochemical Machine Learning Models Predict Operational Lifetimes of CH3NH3PbI3 Perovskite Solar Cells

Halide perovskites are promising photovoltaic (PV) materials with the potential to lower the cost of electricity and greatly expand the penetration of PV if they can demonstrate long-term stability under illumination in the presence of moisture and oxygen. The solar cell service lifetime as quantified by the T80 (the time required for the power conversion efficiency to drop to 80% of its starting value) is a useful metric to assess stability. The T80 for utility, commercial, or residential PV systems needs to be several decades in order to yield low-cost electricity, and thus it is not practical to directly measure the T80. It would be useful if T80 could be predicted from the initial dynamics of a solar cell’s performance, but until now no models have been developed to forecast T80. In this work, we report the development of machine learning models to predict T80 of ITO/NiOx/CH3NH3PbI3/C60/BCP/Ag solar cells operating at maximum power point under 1-sun equivalent photon flux in air at varying temperatures and relative humidities. Efficiency losses are driven by short-circuit current and fill factor, indicating that chemical decomposition of the perovskite is a major contributor to degradation. Spatial patterns evident from in situ dark field optical microscopy suggest that the electric field gradient at device edges plays a significant role in perovskite decomposition, along with photochemical reactions with O2 and H2O. Models are trained using a menu of features from three distinct categories: (i) features based on measurements of the initial rates of change of device parameters, (ii) features based on the ambient conditions during operation (temperature, & partial pressure of H2O), and (iii) features based on underlying physics and chemistry. We show that a theory-based physiochemical feature derived from a model of the chemical reaction kinetics of the rate of degradation of the CH3NH3PbI3 is particularly valuable for prediction. This physiochemical feature was selected as the first or second most dominant feature in the best performing models. With a dataset consisting of 45 accelerated degradation experiments with T80 that range over a factor of 30, the model predicts T80 with an accuracy of about 40% (|predicted T80 - observed T80| / observed T80) on samples not used in training. This hybrid ML approach should be effective when applied to other compositions, device architectures, and advanced packaging schemes.

14 SOLAR ENERGY↗

Antisolvent‐Mediated Air Quench for High‐Efficiency Air‐Processed Carbon‐Based Planar Perovskite Solar Cells

Perovskite solar cells (PSCs) have becoma a leading low‐cost photovoltaic technology, achieving power conversion efficiencies (PCEs) of up to 26.1%. However, their commercialization is hindered by stability issues and the need for controlled processing environments. Carbon‐electrode‐based PSCs (C‐PSCs) offer enhanced stability and cost‐effectiveness compared to traditional metal‐electrode PSCs, i.e., Au and Ag. However, processing challenges persist, particularly in air conditions where moisture sensitivity poses a significant hurdle. Herein, a novel air processing technique is presented for planar C‐PSCs that incorporates antisolvent vapors, such as chlorobenzene, into a controlled air‐quenching process. This method effectively mitigates moisture‐induced instability, resulting in champion PCEs exceeding 20% and robust stability under ambient conditions. The approach retains 80% of initial efficiency after 30 h of operation at maximum power point without encapsulation. This antisolvent‐mediated air‐quenching technique represents a significant advancement in the scalable production of C‐PSCs, paving the way for future large‐scale deployment.

14 SOLAR ENERGY↗

Mitigating electrochemical degradation in CsPbBr{sub 3} gamma detectors by organic and inorganic encapsulation.

CsPbBr3 perovskite semiconductors have emerged as a leading candidate for nextgeneration radiation detectors because of their exceptional charge transport properties, defect tolerance, and record-breaking sensitivity and energy resolution. Their long-term stability, however, is hindered by electrode-driven electrochemical decomposition, which is accelerated by moisture- and oxygen-assisted ion migration during operation. Here, we investigated organic and inorganic encapsulation strategies as both environmental barriers and means to suppress interfacial degradation pathways. Atomic layer deposition (ALD) of Al2O3 provided a conformal passivation layer that blocked environmental ingress, suppressed ionic diffusion, reduced leakage current, enhanced energy resolution and expanded the operational electric-field window beyond 5 kV∙cm1 . By contrast, organic encapsulants such as paraffin wax and polystyrene slowed moisture diffusion but did not suppress interfacial reactions, with wax extending stability to over 90 days. These results show that ALD-Al2O3 suppresses dominant interfacial degradation pathways, enabling stable, high-field operation and advancing the practical deployment of CsPbBr3 γ-ray detectors.

Unal, Mustafa↗

Upper Troposphere Smoke Injection From Large Areal Fires

Abstract Large areal fires, such as those ignited following a nuclear detonation, can inject smoke into the upper troposphere and lower stratosphere. Detailed fire simulations allow for assessment of how local weather interacts with these fires and affects smoke lofting. In this study, we employ the fire simulation package in the Weather Research and Forecasting (WRF‐Fire) model, Version 4.0.1, to explore how smoke lofting from a fire burning a homogeneous fuel bed changes with varying local winds, relative humidity, and atmospheric boundary‐layer stability for two different‐sized areal fires. The presence of moisture has the greatest influence on the results by raising the altitude of lofting, while faster wind speeds dampen lofting and lower the injection height. Stably stratified conditions inhibit plume propagation compared with neutrally stratified conditions, although the impact of stability is not as strong as that of moisture and winds. These findings highlight the importance of using an appropriate atmospheric profile when simulating large fires, as the local weather can have a meaningful influence on smoke lofting.

54 ENVIRONMENTAL SCIENCES↗

Virus diversity and activity is driven by snowmelt and host dynamics in a high-altitude watershed soil ecosystem

Background: Viruses impact nearly all organisms on Earth, including microbial communities and their associated biogeochemical processes. In soils, highly diverse viral communities have been identified, with a global distribution seemingly driven by multiple biotic and abiotic factors, especially soil temperature and moisture. However, our current understanding of the stability of soil viral communities across time and their response to strong seasonal changes in environmental parameters remains limited. Here, we investigated the diversity and activity of environmental soil DNA and RNA viruses, focusing especially on bacteriophages, across dynamics’ seasonal changes in a snow-dominated mountainous watershed by examining paired metagenomes and metatranscriptomes. Results: We identified a large number of DNA and RNA viruses taxonomically divergent from existing environmental viruses, including a significant proportion of fungal RNA viruses, and a large and unsuspected diversity of positive single-stranded RNA phages ( Leviviricetes ), highlighting the under-characterization of the global soil virosphere. Among these, we were able to distinguish subsets of active DNA and RNA phages that changed across seasons, consistent with a “seed-bank” viral community structure in which new phage activity, for example, replication and host lysis, is sequentially triggered by changes in environmental conditions. At the population level, we further identified virus-host dynamics matching two existing ecological models: “Kill-The-Winner” which proposes that lytic phages are actively infecting abundant bacteria, and “Piggyback-The-Persistent” which argues that when the host is growing slowly, it is more beneficial to remain in a dormant state. The former was associated with summer months of high and rapid microbial activity, and the latter with winter months of limited and slow host growth. Conclusion: Taken together, these results suggest that the high diversity of viruses in soils is likely associated with a broad range of host interaction types each adapted to specific host ecological strategies and environmental conditions. As our understanding of how environmental and host factors drive viral activity in soil ecosystems progresses, integrating these viral impacts in complex natural microbiome models will be key to accurately predict ecosystem biogeochemistry.

54 ENVIRONMENTAL SCIENCES↗

Savannah River Site Climatology for Research Activities Conducted Onsite and in P-Area (1994-2023)

This report presents a climatology of meteorological variables at the Savannah River Site (SRS) using measurements from the P-Area and Central Climatology meteorological towers to support research activities at the Savannah River Site. Key values included in this report are wind, surface pressure, temperature, relative humidity, soil moisture, cloud fraction, cloud base, lightning, atmospheric stability, and boundary layer parameters. The Central Climatology tower is useful in that it is instrumented at four levels, allowing for an examination of height dependence on some variables.

54 ENVIRONMENTAL SCIENCES↗

Savannah River Site Climatology for Research Activities Conducted Onsite and in P-Area (1994-2023)

Executive Summary This report presents a climatology of meteorological variables at the Savannah River Site (SRS) using measurements from the P-Area and Central Climatology meteorological towers to support research activities at the Savannah River Site. Key values included in this report are wind, surface pressure, temperature, relative humidity, soil moisture, cloud fraction, cloud base, lightning, atmospheric stability, and boundary layer parameters. The Central Climatology tower is useful in that it is instrumented at four levels, allowing for an examination of height dependence on some variables.

54 ENVIRONMENTAL SCIENCES↗

Carbon Ore-Derived Critical Materials for Clean Energy Technologies

Conference presentation at American Institute of Chemical Engineers (AIChE) Annual Meeting, San Diego, California, October 27–31, 2024. Trends in the manufacture of electric vehicles that use graphite-based LIBs are rising steeply in the United States and globally, but the U.S. domestic supply chains for graphite, the largest component in an LIB by mass, is severely limited and faces complicated geopolitical dynamics with foreign sources. Consequently, the United States has designated graphite as a critical mineral to focus attention and resources to develop technologies to meet the challenge of limited domestic graphite supply chains. Results obtained so far based on the UCOP process have successfully validated the technology at the laboratory scale, with the produced graphite material showing up to 95% degree of graphitization, high carbon purity of ~99.98%, residual ash content of ≤0.02%, negligible moisture, low trace elements, and high electrochemical stability. These results suggest that the emerging UCOP technology is a promising approach to effectively synthesize high-quality graphite from abundant coal and coal waste resources in the United States to create a sustainable domestic critical graphite supply chain. A brief description of the status of UCOP process development and representative results will be presented.

01 COAL, LIGNITE, AND PEAT↗

Short-term climatic fluctuations forced by thermal anomalies

A two level, global, spectral model using pressure as a vertical coordinate was developed. The system of equations describing the model is nonlinear and quasi-geostrophic (linear balance). Static stability is variable in the model. A moisture budget is calculated in the lower layer only. Convective adjustment is used to avoid supercritical temperature lapse rates. The mechanical forcing of topography is introduced as a vertical velocity at the lower boundary. Solar forcing is specified assuming a daily mean zenith angle. The differential diabatic heating between land and sea is paramterized. On land and sea ice surfaces, a steady state thermal energy equation is solved to calculate the surface temperature. On the oceans, the sea surface temperature is specified as the climatological average for January. The model is used to simulate the January, February and March circulations.

Hanna, A. F.↗

A diagnostic study of the forcing of the Ferrel cell by eddies, with latent heat effects included

A diagnostic study of the forcing of the Ferrel cell by eddy fluxes in the Northern Hemisphere is carried out. The quasi-geostrophic omega equation, and Oort and Rasmusson's (1971) data set, are used. The effects of condensation associated with the large scale motions are introduced to the omega equation by using the quasi-geostrophic moisture conservation equation. Thus, the dry static stability is replaced by a moist static stability, and the forcing of the Ferrel cell by eddy latent heat fluxes as well as sensible heat and momentum fluxes is included. Both effects tend to enhance the forcing of the Ferrel cell. The numerical analysis indicates that the effects are small in January, but in July the maximum vertical velocities are enhanced by about 30 percent.

Salustri, G.↗

Short-term climatic fluctuations forced by thermal anomalies

A two level, global, spectral model using pressure as a vertical coordinate was developed. The system of equations describing the model is nonlinear and quasi-geostrophic (linear balance). Static stability is variable in the model. A moisture budget is calculated in the lower layer only. Convective adjustment is used to avoid supercritical temperature lapse rates. The mechanical forcing of topography is introduced as a vertical velocity at the lower boundary. Solar forcing is specified assuming a daily mean zenith angle. The differential diabatic heating between land and sea is parameterized. On land and sea ice surfaces, a steady state thermal energy equation is solved to calculate the surface temperature. On the oceans, the sea surface temperature is specified as the climatological average for January. The model is used to simulate the January, February and March circulations. Previously announced in STAR as N83-14822

Hanna, A. F.↗

Short-term climatic fluctuations forced by thermal anomalies

A two level, global, spectral model using pressure as a vertical coordinate was developed. The system of equations describing the model is nonlinear and quasi-geostrophic (linear balance). Static stability is variable in the model. A moisture budget is calculated in the lower layer only. Convective adjustment is used to avoid supercritical temperature lapse rates. The mechanical forcing of topography is introduced as a vertical velocity at the lower boundary. Solar forcing is specified assuming a daily mean zenith angle. The differential diabatic heating between land and sea is parameterized. On land and sea ice surfaces, a steady state thermal energy equation is solved to calculate the surface temperature. On the oceans, the sea surface temperature is specified as the climatological average for January. The model is used to simulate the January, February and March circulations. Previously announced in STAR as N83-14822

Hanna, A. F.↗

A new synthetic route to a family of non-classical addition-type thermoplastics. I - Concept and demonstration

A synthesis scheme was developed for a host of nonclassical addition-type thermoplastics (ATT) that can be cured by an addition reaction, leading to a linear polymer structure. The synthesis involves the reaction of an acetylene-terminated prepolymer with either a bismaleimide (BMI) or a biscitraconimide. A new polymer, designated LaRC-RP80, synthesized using this scheme, was found to exhibit several significantly improved properties over the commercial BMI, Kerimid 601, including an eight-fold increase in toughness while maintaining a high Tg, a higher (by 167 C) heat stability, and a 50-percent increase in moisture resistance. In addition, LaRC-RP80 has good hot/wet lap shear strength and processes easily at 288 C without voids in the finished product.

Pater, Ruth H.↗

Dimensionally Stable Poyimide Copolymers for Microelectronics Applications

Polyimides are finding increased applications in microelectronics due to their high thermal stability, good chemical resistance, good adhesion, low moisture absorption, good mechanical properties, and low coefficient of thermal expansion (CTE). Four series of random copolyimides were synthesized and characterized for potential application as encapsulants, stress-relief layers, and interlevel dielectrics. Several candidates exhibited good combinations of physical and mechanical properties with inherent viscosities from 1.21 to 1.42 dL/g, T(sub g)'s ranging from 251 to 277 C, 10% weight loss temperatures between 503 and 527 C, and CTEs ranging from 33 to 39 ppm/deg C. Mechanical properties at room temperature for the best candidates included tensile strengths of 17.8-21.3 ksi, moduli between 388 and 506 ksi, and elongations of 11-43%. Moisture absorption for these copolyimides ranged between 0.85 and 1.38 wt %.

Fay, Catherine C.↗