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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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60 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

The role of native defects and their diffusivity in CdTe

CdTe is a leading thin-film technology for solar-cell applications. Basic features such as the optimum band gap of 1.5 eV and simple manufacturing process have been driving the research on improving the current record efficiency of 22% for CdTe solar cells toward the theoretical limit of 32%. Low p-type doping and short carrier lifetimes in the CdTe absorber have been suggested as the main limiting factors and attributed to defect compensation and carrier recombination. Understanding the role of point defects and impurities in CdTe is crucial to solving these problems. Despite many years of research, the sources of compensation and the microscopic recombination mechanisms are still unclear. By using hybrid density functional calculations with spin-orbit coupling and large supercells, we investigate the electronic properties, the formation energies, and the diffusivities of the native defects in CdTe. As possible sources of compensation for p-type conductivity, we discuss the structural and electronic properties of Cd interstitial, Te vacancies, and TeCd antisites. The stability of each defect is discussed in terms of both the defect formation energy and the migration barrier. We also address possible mechanisms that lead to non-radiative recombination.

14 SOLAR ENERGY↗
DOE OSTI2024

Self-compensation of group-V acceptors in CdTe

Cadmium Telluride is at the core of an important thin-film technology for photovoltaics that is already commercially available, yet the CdTe-based solar cell efficiency remains limited at 22%, well below the theoretical limit of ~30%. Increasing the hole concentration is crucial for higher efficiency, and group-V elements such as As, P, and Sb are potential dopants as they are shallow acceptors. Nevertheless, group-V doped p-type CdTe often exhibits low doping activation, and the compensation source remains debated. Here, we performed hybrid density functional calculations with spin-orbit coupling to investigate possible sources of hole compensation in group-V doped CdTe. First, regarding possible self-compensation of the group-V dopants, we find that the formation of AX centers is unlikely since they are found to be unstable relative to the shallow acceptor forms. However, if the group-V dopants come in during growth (such as dimer molecules As2, P2, and Sb2), we find that the impurity atoms, which would occupy nearest neighbor sites, maintain the V-V bonds, limiting the hole density. For the native defects, our study reveals that Cd interstitial is the lowest energy donor defect in p-type CdTe. Still, it has a small migration barrier of 0.5 eV, making it highly mobile and unstable at room temperature. The Te vacancy is the next lowest formation energy donor. The migration barrier of 1.4 eV indicates that the Te vacancy is stable at room temperature. The antisite CdTe is also a donor, with low formation energy and stable at room temperature, potentially limiting the hole concentration. Our results, therefore, shed light on possible compensation centers and some guidance on how to avoid them.

14 SOLAR ENERGY↗
DOE OSTI2024

Carbon Capture from ArcelorMittal Hot Briquetted Iron Plant Using Air Liquide Cryocap™ FG Technology – FEED Study

The process of steel production is energy and carbon intensive with global average energy consumption of 5.5 MWh/tonne of steel and CO2 emission intensity of 1.83 tonne CO2/tonne of steel. The steel making process has inherent CO2 emissions from mineral conversion and is considered major contributors to the global carbon emissions. The steel industry is responsible for 8% of global carbon emissions. The main objective of this research project is to execute and complete a front-end engineering and design (FEED) study for a commercial-scale, carbon capture project that separates 95% of the total CO2 emissions at the ArcelorMittal’s Hot Briquetted Iron (HBI) plant in Portland, TX (Figure 1). The HBI is an ore-based metallic that is used as high-grade feedstock for high-quality steel via an Electric Arc Furnace (EAF) route. The HBI plant produces 2.0 million metric tonnes of high-quality HBI and emits approximately 1 million tonnes CO2/yr. The capture system is a Pressure Swing Adsorption (PSA) system assisted Cryocap™ FG technology (Figure 2). The captured CO2 will be pipeline grade and will be geologically stored in a facility within 10 miles of the CO2 source. The Host Site location in Corpus Christi, TX, is near hydrocarbon processing facilities and near Environmental Justice (EJ) and Qualified Opportunity Zone (QOZ) communities. Due to the location of the Host Site, the retrofit project offers the ability to demonstrate how a workforce focused on the fossil energy sector can be redirected to the clean- energy sector. The Air Liquide Cryocap™ capture technology is a proven technology and has been extensively examined for large industrial applications. It has been shown to be applicable to a variety of industrial applications including the steel industry. Cryocap™ FG (specific setup for Flue Gas application) consists of a Pressure Swing Adsorption (PSA) unit coupled with a Cryogenic System. The PSA pre-concentrates the CO2 from the flue gas, while the cryogenic unit enables the CO2 purity to be increased to the desired level. The scope of this study incorporates completing FEED study of the CO2 capture system which includes point-source CO2 capture and balance-of-plant; Business Case Analysis (BCA) outlining the current and projected volumes of the steel plant’s point sources of CO2 and the potential utilization of tax credits, including its projected revenue and duration; Life Cycle Analysis (LCA); Environmental Justice Analysis; Economic Revitalization and Job Creation Outcomes Analysis; and Workforce Readiness Plan. The plant design work was divided into two components: Inside Battery Limits (ISBL) and Outside Battery Limits (OSBL). The ISBL focuses on the capture system, while the OSBL focuses on the utility feeds and ducting from the plant to the capture system. Various design and engineering deliverables will be developed to define commodity quantities, equipment specifications, and labour effort required to execute the project. These FEED study deliverables will be prepared with the intent to develop an overall project capital cost estimate consistent with an AACE Class 3 estimate. The modular approach for the Cryocap™ FG that is being designed for this study integrates compression, PSA, and cryogenic “bricks” to achieve the desired CO2 capture rates. This carbon capture system integrates easily with the existing plant, thus reducing project costs and risks. It is also capable of managing impurities such as nitrogen oxides (NOx), sulfur oxides (SOx), mercury, hydrocarbons, and particulate matter. The capture system has a smaller footprint than amine-based systems. The two-step process uses PSA to preconcentrate the CO2 in the feedstream and then uses the cryogenic portion to purify and compress the resulting high purity CO2 product. This combination of purification and compression (i.e., process intensification) significantly reduces the CAPEX associated with use of a separate compressor commonly utilized for amine solvent-based systems. Successful completion of the FEED study will provide DOE with a detailed understanding of the costs for scaling up this proven capture technology for commercial applications at industrial facilities.

42 ENGINEERING↗
DOE OSTI2024

DIII-D research to provide solutions for ITER and fusion energy

The DIII-D tokamak has elucidated crucial physics and developed projectable solutions for ITER and fusion power plants in the key areas of core performance, boundary heat and particle transport, and integrated scenario operation, with closing the core-edge integration knowledge gap being the overarching mission. New experimental validation of high-fidelity, multi-channel, non-linear gyrokinetic turbulent transport models for ITER provides strong confidence it will achieve Q ≥ 10 operation. Experiments identify options for easing H-mode access in hydrogen, and give new insight into the isotopic dependence of transport and confinement. Analysis of 2,1 islands in unoptimized low-torque IBS demonstration discharges suggests their onset time occurs randomly in the constant β phase, most often triggered by non-linear 3-wave coupling, thus identifying an NTM seeding mechanism to avoid. Pure deuterium SPI for disruption mitigation is shown to provide favorable slow cooling, but poor core assimilation, suggesting paths for improved SPI on ITER. At the boundary, measured neutral density and ionization source fluxes are strongly poloidally asymmetric, implying a 2D treatment is needed to model pedestal fuelling. Detailed measurements of pedestal and SOL quantities and impurity charge state radiation in detached divertors has validated edge fluid modelling and new self-consistent 'pedestal-to-divertor' integrated modeling that can be used to optimize reactors. New feedback adaptive ELM control minimizes confinement reduction, and RMP ELM suppression with sustained high core performance was obtained for the first time with the outer strike point in a W-coated, compact and unpumped small-angle slot divertor. Advances have been made in integrated operational scenarios for ITER and power plants. Wide pedestal intrinsically ELM-free QH-modes are produced with more reactor-relevant conditions, Low torque IBS with W-equivalent radiators can exhibit predator-prey oscillations in Te and radiation which need control. High-β P scenarios with q min > 2, q 95 –7.9, β N > 4, β T –3.3% and H 98y2 > 1.5 are sustained with high density ($\overline{n}$ = 7E19 m -3 , f G –1) for 6 τ E , improving confidence in steady-state tokamak reactors. Diverted NT plasmas achieve high core performance with a non-ELMing edge, offering a possible highly attractive core-edge integration solution for reactors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Diversifying Composition Leads to Hierarchical Composites with Design Flexibility and Structural Fidelity

Although significant progress has been made in the self-assembly of nanostructures, present successes heavily rely on precision in building block design, composition, and pair interactions. These requirements fundamentally limit our ability to synthesize macroscopic materials where the likelihood of impurity inclusion escalates and, more importantly, to access molecular-to-nanoscopic-to-microscopic-to-macroscopic hierarchies, since the types and compositions of building blocks vary at each stage. Inspired by biological blends and high-entropy alloys, we hypothesize that diversifying the blend’s composition can overcome these limitations. Increasing the number of components increases mixing entropy, leading to the dispersion of different components and, as a result, enhances interphase miscibility, weakens the dependence on specific pair interactions, and enables long-range cooperativity. This hypothesis is validated in complex blends containing small molecules, block copolymer-based supramolecules, and nanoparticles/colloidal particles. Hierarchically structured composites can be obtained with formulation flexibility in the filler selection and blend composition. It is worth noting that, by adding small molecules, we can solve the size constraint that plagues traditional block copolymer/nanoparticle blends. Detailed characterization and simulation further confirm that each component is distributed to locally mediate unfavorable interactions, cooperatively mitigate composition fluctuations, and retain structural fidelity. Furthermore, the blends have sufficient mobility to access tunable microstructures without compromising the order of the nanostructure. Besides establishing a kinetically viable pathway to release current constraints in the composite design and to navigate uncertainties during structure formation over multiple length scales, the present study demonstrates that entropy-driven behaviors can be realized in systems beyond high-entropy alloys despite inherent differences between metal alloys and organic/inorganic hybrids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Corroborating VNA and thermal measurements of transmission loss on the DIII-D ECH waveguide system

Electron cyclotron heating (ECH) and current drive (ECCD) will play a large role in tokamak-based fusion reactors. At the DIII-D tokamak, 110 GHz microwaves injected into the plasma can provide core heating and current drive as well as impurity control, neoclassical tearing mode mitigation, and breakdown assistance. Understanding the physics of these processes relies on accurate estimates of injected ECH power. DIII-D’s ECH system consists of six MW-class Microwave Power Products (MPP) gyrotron microwave sources. Operating the gyrotrons far from the tokamak removes them from magnetic field interference, so 31.75 mm inner-diameter corrugated waveguides transmit the microwave power the 80 m from the gyrotrons to steerable launchers in the tokamak chamber. Estimates of injected power rely on knowing the generated power at the source and then subtracting transmission loss. Conventional transmission loss measurements based on calorimetric dummy loads are onerous and only possible during extended maintenance periods. This work examines two tools that provide more flexibility for the transmission loss measurements. Furthermore, a resistive temperature detector (RTD) array installed along a waveguide measures heat lost to the transmission line, and low power time domain reflectometry (TDR) measurements with a vector network analyzer (VNA) allows loss measurements without burdensome hardware modifications.

ECH↗