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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

A Business Case Evaluation of Gas Switching Reforming (GSR) Technology: A Promising Technology for Natural Gas Reforming with Integrated CO2 Capture

Hydrogen is essential in the transition to sustainable energy, and developing low-carbon production methods is a key research focus. Traditional steam methane reforming (SMR) dominates the hydrogen industry but contributes substantially to CO2 emissions. In response, Gas Switching Reforming (GSR) has emerged as a novel process that integrates carbon capture and utilizes process heat more efficiently. Unlike other reforming methods, GSR consolidates oxidation and reduction reactions within a single reactor, which minimizes external energy inputs and simplifies scaling. Like conventional steam methane reforming (SMR), GSR can be integrated with water-gas shift and pressure swing adsorption units for pure hydrogen production. This work presents a comprehensive business case analysis of GSR technology based on experimental results in Technology Readiness Level 3, Life Cycle Assessment (LCA) and Techno-Economic (TEA) evaluation incorporating ASPEN Plus process modeling considering different configurations and energy scenarios. The TEA incorporates data from kinetic experiments from various catalysts to evaluate the GSR process under various conditions. The goal of this work is to evaluate GSR’s potential to serve as a low-carbon alternative to SMR, focusing on global warming potential and additional impact categories to evaluate a wide spectrum of environmental impacts. Comparative assessments were conducted with SMR, chemical loop reforming (CLR), and proton exchange membrane (PEM) electrolysis to explore trade-offs across environmental metrics. The environmental impact assessment of this work encompasses the entire hydrogen production lifecycle from raw material extraction to plant decommissioning, using a cradle-to-gate boundary. Preliminary findings highlight that GSR, when integrated with low-carbon energy sources, could significantly reduce environmental impacts, making it a promising candidate for low-carbon hydrogen infrastructure. The insights from this business case evaluation aim to guide industry in scale-up and commercialization of this promising clean energy technology.

03 NATURAL GAS↗
DOE OSTI2012

IMPACT OF SUPERNOVA DYNAMICS ON THE {nu}p-PROCESS

We study the impact of the late-time dynamical evolution of ejecta from core-collapse supernovae on {nu}p-process nucleosynthesis. Our results are based on hydrodynamical simulations of neutrino-driven wind ejecta. Motivated by recent two-dimensional wind simulations, we vary the dynamical evolution during the {nu}p-process and show that final abundances strongly depend on the temperature evolution. When the expansion is very fast, there is not enough time for antineutrino absorption on protons to produce enough neutrons to overcome the {beta}{sup +}-decay waiting points and no heavy elements beyond A = 64 are produced. The wind termination shock or reverse shock dramatically reduces the expansion speed of the ejecta. This extends the period during which matter remains at relatively high temperatures and is exposed to high neutrino fluxes, thus allowing for further (p, {gamma}) and (n, p) reactions to occur and to synthesize elements beyond iron. We find that the {nu}p-process starts to efficiently produce heavy elements only when the temperature drops below {approx}3 GK. At higher temperatures, due to the low alpha separation energy of {sup 60}Zn (S{sub {alpha}} = 2.7 MeV) the reaction {sup 59}Cu(p, {alpha}){sup 56}Ni is faster than the reaction {sup 59}Cu(p, {gamma}){sup 60}Zn. This results in the closed NiCu cycle that we identify and discuss here for the first time. We also investigate the late phase of the {nu}p-process when the temperatures become too low to maintain proton captures. Depending on the late neutron density, the evolution to stability is dominated by {beta}{sup +} decays or by (n, {gamma}) reactions. In the latter case, the matter flow can even reach the neutron-rich side of stability and the isotopic composition of a given element is then dominated by neutron-rich isotopes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Highly supercooled riming and unusual triple-frequency radar signatures over McMurdo Station, Antarctica

Abstract. Riming of ice crystals by supercooled water droplets is an efficient ice growth process, but its basic properties are still poorly known. While it has been shown to contribute significantly to surface precipitation at mid-latitudes, little is known about its occurrence at high latitudes. In Antarctica, two competing effects can influence the occurrence of riming: (i) the scarcity of supercooled liquid water clouds due to the extremely low tropospheric temperatures and (ii) the low aerosol concentration, which may lead to the formation of fewer and larger supercooled drops potentially resulting in an enhanced riming efficiency. In this work, by exploiting the deployment of an unprecedented number of multiwavelength remote sensing systems (including triple-frequency radar measurements) in West Antarctica, during the Atmospheric Radiation Measurements West Antarctic Radiation Experiment (AWARE) field campaign, we evaluate the riming incidence at McMurdo Station and find that riming occurs at much lower temperatures when compared to previous results in the mid-latitudes. This suggests the possible occurrence of a common atmospheric state over Antarctica that includes a rather stable atmosphere inhibiting turbulent mixing, and a high riming efficiency driven by large cloud droplets. We then focus on a peculiar case study featuring a persistent layer with a particularly pronounced riming signature in triple-frequency radar data but only a relatively modest amount of supercooled liquid water. In-depth analysis of the radar observations suggests that such signatures can only be explained by the combined effects of moderately rimed aggregates or similarly shaped florid polycrystals and a narrow particle size distribution (PSD). Simulations of this case study performed with a one-dimensional bin model indicate that similar triple-frequency radar observations can be reproduced when narrow PSDs are simulated. Such narrow PSDs can in turn be explained by two key factors: (i) the presence of a shallow homogeneous droplet or humidified aerosol freezing layer aloft seeding an underlying supercooled liquid layer, and (ii) the absence of turbulent mixing throughout a stable polar atmosphere that sustains narrow PSDs, as hydrometeors grow from the nucleation region aloft to ice particles of several millimeters in size, by vapor deposition and then riming.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2022

Highly Supercooled Riming and Unusual Triple-Frequency Radar Signatures Over McMurdo Station, Antarctica

Riming of ice crystals by supercooled water droplets is an efficient ice growth process, but its basic properties are still poorly known. While it has been shown to contribute significantly to surface precipitation at mid-latitudes, little is known about its occurrence at high latitudes. In Antarctica, two competing effects can influence the occurrence of riming: (i) the scarcity of supercooled liquid water clouds due to the extremely low tropospheric temperatures and (ii) the low aerosol concentration, which may lead to the formation of fewer and larger supercooled drops potentially resulting in an enhanced riming efficiency. In this work, by exploiting the deployment of an unprecedented number of multiwavelength remote sensing systems (including triple-frequency radar measurements) in West Antarctica, during the Atmospheric Radiation Measurements West Antarctic Radiation Experiment (AWARE) field campaign, we evaluate the riming incidence at McMurdo Station and find that riming occurs at much lower temperatures when compared to previous results in the mid-latitudes. This suggests the possible occurrence of a common atmospheric state over Antarctica that includes a rather stable atmosphere inhibiting turbulent mixing, and a high riming efficiency driven by large cloud droplets. We then focus on a peculiar case study featuring a persistent layer with a particularly pronounced riming signature in triple-frequency radar data but only a relatively modest amount of supercooled liquid water. In-depth analysis of the radar observations suggests that such signatures can only be explained by the combined effects of moderately rimed aggregates or similarly shaped florid polycrystals and a narrow particle size distribution (PSD). Simulations of this case study performed with a one-dimensional bin model indicate that similar triple-frequency radar observations can be reproduced when narrow PSDs are simulated. Such narrow PSDs can in turn be explained by two key factors: (i) the presence of a shallow homogeneous droplet or humidified aerosol freezing layer aloft seeding an underlying supercooled liquid layer, and (ii) the absence of turbulent mixing throughout a stable polar atmosphere that sustains narrow PSDs, as hydrometeors grow from the nucleation region aloft to ice particles of several millimeters in size, by vapor deposition and then riming.

Riming↗
DOE OSTI2023

A Hardware and Software Co-design Framework for Energy Efficient Neuromorphic Systems

Neuromorphic systems can be realized by a variety of algorithms and architectures. A common understanding is that spiking neuromorphic designs, which encode information into spatio-temporal spiking events, are both a biologically-accurate and efficient way of processing information. However, representing the information through timing relationships induces sophisticated circuit designs in traditional CMOS-based implementations. In recent years, high-capacity resistive memory (RRAM, aka, memristor) has demonstrated great potential in mimicking synaptic behaviors. Several RRAM-based spiking neuromorphic designs exist, most of which focus on rate coding schemes. These designs simplify circuit implementations of neuron models and explore challenges such as unsatisfactory speed, resolution, and performance. As an alternative, we will explore temporal coding spiking neuromorphic systems that encode information as the relative timing of neuron activations (spikes), which have been proven to be more adaptive and energy-efficient. Developing a neuromorphic system for spiking neural network (SNN) inference and online training, however, faces some major technical challenges: (1) It lacks circuit implementation support for temporal-coding SNN to achieve satisfying power efficiency and accuracy; (2) Although existing research works have investigated memristive synapse and neuron designs for spike-timing-dependent plasticity, the non-ideal conditions in implementation, such as device variations and signal degradation, degrade online learning accuracy of large scale systems; and (3) Non-optimized, inter-layer data traffic in SNNs, leads to unnecessary data communication costs. In this project, we plan to address these challenges by a hardware and software co-design framework that incorporates solutions at the circuit, architecture, and algorithm levels. At the circuit-level, we will elaborate on the in-situ SNN processing element designs for supporting both inference and online training modes. Variation-aware schemes will be studied to improve reliability. At the architecture level, we propose a pipelined, asynchronous architecture to retain the timing resolution of spikes. At the algorithm level, we will investigate an innovative SNN training algorithm for enabling activation sparsification and reducing unnecessary data communication costs. This neuromorphic system will provide an effective solution to real-life energy-constrained applications and significantly contribute to the exploration of next-generation high-performance computing systems under the DOE context.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Using Bayesian Inference Framework towards Identifying Gas Species and Concentration from High Temperature Resistive Sensor Array Data

High temperature gas sensors have been highly demanded for combustion process optimization and toxic emissions control, which usually suffer from poor selectivity. In order to solve this selectivity issue and identify unknown reducing gas species (CO, CH 4 , and CH 8 ) and concentrations, a high temperature resistive sensor array data set was built in this study based on 5 reported sensors. As each sensor showed specific responses towards different types of reducing gas with certain concentrations, based on which calibration curves were fitted, providing benchmark sensor array response database, then Bayesian inference framework was utilized to process the sensor array data and build a sample selection program to simultaneously identify gas species and concentration, by formulating proper likelihood between input measured sensor array response pattern of an unknown gas and each sampled sensor array response pattern in benchmark database. This algorithm shows good robustness which can accurately identify gas species and predict gas concentration with a small error of less than 10% based on limited amount of experiment data. These features indicate that Bayesian probabilistic approach is a simple and efficient way to process sensor array data, which can significantly reduce the required computational overhead and training data.

Liu, Yixin↗
DOE OSTI2014

Recent Advances in Carbon Nanotube-Based Enzymatic Fuel Cells

This review summarizes recent trends in the field of enzymatic fuel cells. Thanks to the high specificity of enzymes, biofuel cells can generate electrical energy by oxidation of a targeted fuel (sugars, alcohols, or hydrogen) at the anode and reduction of oxidants (O{sub 2}, H{sub 2}O{sub 2}) at the cathode in complex media. The combination of carbon nanotubes (CNT), enzymes and redox mediators was widely exploited to develop biofuel cells since the electrons involved in the bio-electrocatalytic processes can be efficiently transferred from or to an external circuit. Original approaches to construct electron transfer based CNT-bioelectrodes and impressive biofuel cell performances are reported as well as biomedical applications.

09 BIOMASS FUELS↗
DOE OSTI2011

Cooling and quenching of {sup 24}MgH{sup +}(X {sup 1}{Sigma}{sup +}) by {sup 4}He({sup 1}S) in a Coulomb trap: A quantum study of the dynamics

The quantum dynamics of the rotational quenching of the {sup 24}MgH{sup +}(X {sup 1}{Sigma}{sup +}) molecular cation interacting with {sup 4}He({sup 1}S) as a buffer gas, at relative temperatures ranging from 1 K down to millikelvins, is described by accurate close coupling scattering calculations on an ab initio potential energy surface. The efficiency of the process is quantitatively analyzed by employing the ab initio quenching rates and cross sections and effective decay rate values are obtained from simple unimolecular kinetics over a broad range of trap conditions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Advanced Infusion Techniques with 3-D Printed Tooling

The manufacturing of tooling for large, contoured surfaces for fiber-layup applications requires significant effort to understand the geometry and then to subtractively manufacture the tool. Traditional methods for the auto industry use clay that is hand sculpted. In the marine pleasure craft industry, the exterior of the model is formed from a foam lay-up that is either hand cut or machined to create smooth lines. Engineers and researchers at Oak Ridge National Laboratory s Manufacturing Demonstration Facility (ORNL MDF) collaborated with Magnum Venus Products (MVP) in the development of a process for reproducing legacy whitewater adventure craft via digital scanning and large scale 3-D printed layup molds. The process entailed 3D scanning a legacy canoe form, converting that form to a CAD model, additively manufacturing (3-D Print) the mold tool, and subtractively finishing the mold s transfer surfaces. Future work will include applying a gelcoat to the mold transfer surface and infusing using vacuum assisted resin transfer molding, or VARTM principles, to create a watertight vessel. The outlined steps were performed on a specific canoe geometry found by MVP s principal participant. The intent of utilizing this geometry is to develop an energy efficient and marketable process for replicating complex shapes, specifically focusing on this particular watercraft, and provide a finished product for demonstration to the composites industry. The culminating part produced through this agreement has been slated for public presentation and potential demonstration at the 2016 CAMX (Composites and Advanced Materials eXpo) exposition in Anaheim, CA. Phase I of this collaborative research and development agreement (MDF-15-68) was conducted under CRADA NFE-15-05575 and was initiated on May 7, 2015, with an introduction to the MVP product line, and concluded in March of 2016 with the printing of and processing of a canoe mold. The project partner Magnum Venous Products (MVP) is a small business. Phase II as discussed herein is under consideration by MVP as of this writing. Overall, it is anticipated that developing this process for manufacturing tooling for complex contoured surfaces has applicability to naval and other watercraft as well as bathrooms and large trucks.

42 ENGINEERING↗
DOE OSTI2011

Evaluation of the Relative Merits of Herbaceous and Woody Crops for Use in Tunable Thermochemical Processing

This report summarizes the work and findings of the grant work conducted from January 2009 until September 2011 under the collaboration between Ceres, Inc. and Choren USA, LLC. This DOE-funded project involves a head-to-head comparison of two types of dedicated energy crops in the context of a commercial gasification conversion process. The main goal of the project was to gain a better understanding of the differences in feedstock composition between herbaceous and woody species, and how these differences may impact a commercial gasification process. In this work, switchgrass was employed as a model herbaceous energy crop, and willow as a model short-rotation woody crop. Both crops are species native to the U.S. with significant potential to contribute to U.S. goals for renewable liquid fuel production, as outlined in the DOE Billion Ton Update (http://www1.eere.energy.gov/biomass/billion_ton_update.html, 2011). In some areas of the U.S., switching between woody and herbaceous feedstocks or blending of the two may be necessary to keep a large-scale gasifier operating near capacity year round. Based on laboratory tests and process simulations it has been successfully shown that suitable high yielding switchgrass and willow varieties exist that meet the feedstock specifications for large scale entrained flow biomass gasification. This data provides the foundation for better understanding how to use both materials in thermochemical processes. It has been shown that both switchgrass and willow varieties have comparable ranges of higher heating value, BTU content and indistinguishable hydrogen/carbon ratios. Benefits of switchgrass, and other herbaceous feedstocks, include its low moisture content, which reduce energy inputs and costs for drying feedstock. Compared to the typical feedstock currently being used in the Carbo-V® process, switchgrass has a higher ash content, combined with a lower ash melting temperature. Whether or not this may cause inefficiencies in the process, needs to be verified by long term test runs. Currently, there are not sufficient operational test data available for the Carbo-V® process for the utilization of higher ash content feedstocks. The application of currently evolving biomass pretreatment technologies, such as pelletization and torrefaction, will be able to expand the portfolio of biomass varieties and species acceptable in gasification processes. Tests showed that 6 mm diameter pellets of switchgrass were superior to 8 mm diameter pellets produced in a flat dye press, and that torrefaction of switchgrass produced an excellent (but currently costly) feedstock that could be handled, crushed, and combusted in a manner compatible with any coal-fed gasification facility. Ceres will use this information in the development of high yielding, dedicated energy crops specifically tailored for thermochemical conversion. CHOREN will make use of the information for improvement or development of low cost, highly efficient biomass gasification processes that convert a wide variety of biomass feedstocks to fuels, chemicals, heat and power via the production of tar free green syngas on an industrial scale.

09 BIOMASS FUELS↗
NASA NTRS1990

Theoretical studies of solar pumped lasers

One concept for collecting solar energy is to use large solar collectors and then use lasers as energy converters whose output beams act as transmission lines to deliver the energy to a destination. The efficiency of the process would be improved if the conversion could be done directly using solar pumped lasers, and the possibility of making such lasers is studied. There are many applications for such lasers, and these are examined. By including the applications first, the requirements for the lasers will be more evident. They are especially applicable to the Space program, and include cases where no other methods of delivering power seem possible. Using the lasers for conveying information and surveillance is also discussed. Many difficulties confront the designer of an efficient system for power conversion. These involve the nature of the solar spectrum, the method of absorbing the energy, the transfer of power into laser beams, and finally, the far field patterns of the beams. The requirements of the lasers are discussed. Specific laser configurations are discussed. The thrust is into gas laser systems, because for space applications, the laser could be large, and also the medium would be uniform and not subject to thermal stresses. Dye and solid lasers are treated briefly. For gas lasers, a chart of the various possibilities is shown, and the various families of gas lasers divided according to the mechanisms of absorbing solar radiation and of lasing. Several specific models are analyzed and evaluated. Overall conclusions for the program are summarized, and the performances of the lasers related to the requirements of various applications.

Harries, Wynford L.↗
NASA NTRS1990

Shape design sensitivities using fully automatic 3-D mesh generation

Previous work in three dimensional shape optimization involved specifying design variables by associating parameters directly with mesh points. More recent work has shown the use of fully-automatic mesh generation based upon a parameterized geometric representation. Design variables have been associated with a mathematical model of the part rather than the discretized representation. The mesh generation procedure uses a nonuniform grid intersection technique to place nodal points directly on the surface geometry. Although there exists an associativity between the mesh and the geometrical/topological entities, there is no mathematical functional relationship. This poses a problem during certain steps in the optimization process in which geometry modification is required. For the large geometrical changes which occur at the beginning of each optimization step, a completely new mesh is created. However, for gradient calculations many small changes must be made and it would be too costly to regenerate the mesh for each design variable perturbation. For that reason, a local remeshing procedure has been implemented which operates only on the specific edges and faces associated with the design variable being perturbed. Two realistic design problems are presented which show the efficiency of this process and test the accuracy of the gradient computations.

Botkin, M. E.↗
DOE OSTI2015

Enhanced charge recombination due to surfaces and twin defects in GaAs nanostructures

Power conversion efficiency of gallium arsenide (GaAs) nanowire (NW) solar cells is severely limited by enhanced charge recombination (CR) at sidewall surfaces, but its atomistic mechanisms are not well understood. In addition, GaAs NWs usually contain a high density of twin defects that form a twin superlattice, but its effects on CR dynamics are largely unknown. Here, quantum molecular dynamics (QMD) simulations reveal the existence of an intrinsic type-II heterostructure at the (110) GaAs surface. Nonadiabatic quantum molecular dynamics (NAQMD) simulations show that the resulting staggered band alignment causes a photoexcited electron in the bulk to rapidly transfer to the surface. We have found orders-of-magnitude enhancement of the CR rate at the surface compared with the bulk value. Furthermore, QMD and NAQMD simulations show unique surface electronic states at alternating (111)A and (111)B sidewall surfaces of a twinned [111]-oriented GaAs NW, which act as effective CR centers. The calculated large surface recombination velocity quantitatively explains recent experimental observations and provides microscopic understanding of the underlying CR processes.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Applications of MP-1 anion exchange resin and Eichrom LN resin in berkelium-249 purification

Purification of berkelium-249 ( 249 Bk) at Oak Ridge National Laboratory requires a multi-step process with Bk Finishing as the final step. The current multi-process takes 6–7 months, including ~ 3 months spent on Bk Finishing. Recent trials of using columns of either LN resin or MP-1 anion exchange resin adsorbing the tetravalent 249 Bk4+ in 8M HNO 3 -0.5M NaBrO 3 , followed by eluting impurities (e.g. Ce 4+ , Cf 3+ ) and stripping 249 Bk resulted in a new dual column method of selectively separating 249 Bk from other trans-curium elements and fission product impurities, which is proposed to replace the current Bk Finishing with higher Bk purification efficiency and shorter processing period. This paper displays the experimental results and describes the dual column method with relevant chemistry issues.

Du, Miting (ORCID:0000000336741567)↗
DOE OSTI2011

Energy Saving Melting and Revert Reduction Technology (E-SMARRT): Mechanical Performance of Dies

As a net shape process, die casting is intrinsically efficient and improvements in energy efficiency are strongly dependent on design and process improvements that reduce scrap rates so that more of the total consumed energy goes into acceptable, usable castings. A casting that is distorted and fails to meet specified dimensional requirements is typically remelted but this still results in a decrease in process yield, lost productivity, and increased energy consumption. This work focuses on developing, and expanding the use of, computer modeling methods that can be used to improve the dimensional accuracy of die castings and produce die designs and machine/die setups that reduce rejection rates due to dimensional issues. A major factor contributing to the dimensional inaccuracy of the casting is the elastic deformations of the die cavity caused by the thermo mechanical loads the dies are subjected to during normal operation. Although thermal and die cavity filling simulation are widely used in the industry, structural modeling of the die, particularly for managing part distortion, is not yet widely practiced. This may be due in part to the need to have a thorough understanding of the physical phenomenon involved in die distortion and the mathematical theory employed in the numerical models to efficiently model the die distortion phenomenon. Therefore, two of the goals of this work are to assist in efforts to expand the use of structural modeling and related technologies in the die casting industry by 1) providing a detailed modeling guideline and tutorial for those interested in developing the necessary skills and capability and 2) by developing simple meta-models that capture the results and experience gained from several years of die distortion research and can be used to predict key distortion phenomena of relevance to a die caster with a minimum of background and without the need for simulations. These objectives were met. A detailed modeling tutorial was provided to NADCA for distribution to the industry. Power law based meta-models for predicting machine tie bar loading and for predicting maximum parting surface separation were successfully developed and tested against simulation results for a wide range of machines and experimental data. The models proved to be remarkably accurate, certainly well within the requirements for practical application. In addition to making die structural modeling more accessible, the work advanced the state-of-the-art by developing improved modeling of cavity pressure effects, which is typically modeled as a hydrostatic boundary condition, and performing a systematic analysis of the influence of ejector die design variables on die deflection and parting plane separation. This cavity pressure modeling objective met with less than complete success due to the limits of current finite element based fluid structure interaction analysis methods, but an improved representation of the casting/die interface was accomplished using a combination of solid and shell elements in the finite element model. This approximation enabled good prediction of final part distortion verified with a comprehensive evaluation of the dimensions of test castings produced with a design experiment. An extra deliverable of the experimental work was development of high temperature mechanical properties for the A380 die casting alloy. The ejector side design objective was met and the results were incorporated into the metamodels described above. This new technology was predicted to result in an average energy savings of 2.03 trillion BTU's/year over a 10 year period. Current (2011) annual energy saving estimates over a ten year period, based on commercial introduction in 2009, a market penetration of 70% by 2014 is 4.26 trillion BTU's/year by 2019. Along with these energy savings, reduction of scrap and improvement in casting yield will result in a reduction of the environmental emissions associated with the melting and pouring of the metal which will be saved as a result of this technology. The average annual estimate of CO2 reduction per year through 2020 is 0.085 Million Metric Tons of Carbon Equivalent (MM TCE).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS1984

Review of solar fuel-producing quantum conversion processes

The status and potential of fuel-producing solar photochemical processes are discussed. Research focused on splitting water to produce dihydrogen and is at a relatively early stage of development. Current emphasis is primarily directed toward understanding the basic chemistry underlying such quantum conversion processes. Theoretical analyses by various investigators predict a limiting thermodynamic efficiency of 31% for devices with a single photosystem operating with unfocused sunlight at 300 K. When non-idealities are included, it appears unlikely that actual devices will have efficiencies greater than 12 to 15%. Observed efficiencies are well below theoretical limits. Cyclic homogeneous photochemical processes for splitting water have efficiencies considerably less than 1%. Efficiency can be significantly increased by addition of a sacrificial reagent; however, such systems are no longer cyclic and it is doubtful that they would be economical on a commercial scale. The observed efficiencies for photoelectrochemical processes are also low but such systems appear more promising than homogeneous photochemical systems. Operating and systems options, including operation at elevated temperature and hybrid and coupled quantum-thermal conversion processes, are also considered.

Peterson, D. B.↗
DOE OSTI2015

Combined Impact of Heterogeneous Lifetime and Gettering on Solar Cell Performance

We couple numerical process and device simulations to provide a framework for understanding the combined effects of as-grown wafer impurity distribution, processing parameters, and solar cell architecture. For this study, we added the Impurity-to-Efficiency simulator to Synopsys’ Sentaurus Process software using the Alagator Scripting Language. Our results quantify how advanced processing can eliminate differences in efficiency due to different as-grown impurity concentrations and due to different area fractions of defective wafer regions. We identify combinations of as-grown impurity distributions and process parameters that produce solar cells limited by point defects and those that are limited by precipitated impurities. Gettering targeted at either point defect or precipitate reduction can then be designed and applied to increase cell efficiency. We also visualize the post-processing iron and total recombination distributions in 2D maps of the wafer cross-section. PV researchers and companies can input their initial iron distributions and processing parameters into our software and couple the resulting process simulation results with a solar cell device design of interest to conduct their own analyses. The Alagator scripts we developed are freely available online at http://pv.mit.edu/impurity-to-efficiency-i2e-simulator-for-sentaurus-tcad/.

14 SOLAR ENERGY↗
DOE OSTI2018

Scalable slot-die coating of high performance perovskite solar cells

Perovskite based photovoltaic devices hold the promise to greatly reduce the cost of solar energy production; however, this potential depends greatly on the ability to deposit perovskite active layers using large scale deposition methods such as slot-die coating without sacrificing efficiency. Using a perovskite precursor ink with long wet-film processing window, we demonstrate efficient perovskite solar cells based on slot-die coated perovskite layer. We found almost no difference in the photophysical and structural details of perovskite films that were deposited by spin coating to films deposited by slot-die coating. Furthermore, we explored various slot-die coating parameters to determine their effect on the performance of the device metrics. In addition to slot-die coating, we demonstrate the versatility of this wide wet-film processing window by fabricating perovskite solar cells with active layers deposited by spin coating, blade coating, and spray coating that all exhibited similar performance.

14 SOLAR ENERGY↗