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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Maximum Cs-137 Curie Loading onto Crystalline Silicotitanate for the Documented Safety Analysis of the Tank Side Cesium Removal Platform

The Tank Side Cesium Removal (TSCR) system is currently being constructed to process Hanford tank waste supernates for vitrification. TSCR incorporates a filtration system and cesium (Cs) removal system using columns filled with crystalline silicotitanate (CST) ion exchanger, produced by Honeywell UOP, LLC. The documented safety analysis (DSA) developed for TSCR limits a single column curie loading to 141,600 Ci; given a 137 Cs isotopic mass fraction of 20% and the planned CST bed size of a TSCR column, this equates to 0.10 mmole Cs per g CST. Factors that influence 137Cs loading onto the CST include, but are not limited to, CST production lot (different production lots behave differently), contact temperature, contact duration, 137Cs mass fraction, and competitors in the tank waste feed. Seventeen tank waste feeds (compositions) were identified by Washington River Protection Solutions to be processed through TSCR. These feed compositions were used to develop a simulant (referred to herein as Stage 1) that would provide an upper bound to the Cs loading onto CST based on maximizing the Cs/Na activity coefficient ratios in solution while maintaining Na at no less than 5.0 M. Building upon this Stage 1 simulant, a series of four additional simulants were developed based on the cationic/anionic species that impact Cs exchange, with each successive formulation relaxing one or more matrix component concentration constraints as show in Table S.1

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Predictive process mapping for laser powder bed fusion: A review of existing analytical solutions

One of the main challenges in the laser powder bed fusion (LPBF) process is making dense and defect-free components. These porosity defects are dependent upon the melt pool geometry and the processing conditions. Power-velocity (PV) processing maps can aid in visualizing the effects of LPBF processing variables and mapping different defect regimes such as lack-of-fusion, under-melting, balling, and keyholing. This work presents an assessment of existing analytical equations and models that provide an estimate of the melt pool geometry as a function of material properties. The melt pool equations are then combined with defect criteria to provide a quick approximation of the PV processing maps for a variety of materials. Finally, the predictions of these processing maps are compared with experimental data from the literature. Here, the predictive processing maps can be computed quickly and can be coupled with dimensionless numbers and high-throughput (HT) experiments for validation. The present work provides a boundary framework for designing the optimal processing parameters for new metals and alloys based on existing analytical solutions.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Cesium Removal Performance Comparisons of Crystalline Silicotitanate Media Batches with Savannah River Site Waste Simulant

The Tank Closure Cesium Removal (TCCR) system uses ion exchange columns filled with Crystalline Silicotitanate (CST) media to process radioactive waste solutions for the removal of Cs137. TCCR currently focuses on dissolving Savannah River Site (SRS) Tank 10H waste (primarily sodium salt cake solids) within the tank followed by at-tank ion exchange column treatment. Plans are underway to prepare and install a second TCCR unit at SRS. Capacity and particle size differences exist between archived (IE-911) and more recently-prepared CST media batches (9120- B and 9140-B). Side-by-side comparison testing was performed to evaluate the cesium removal performance of each batch to aid in selecting the preferred CST batch and media characteristics to load into the second TCCR unit. Batch contact equilibrium and flow-through column tests have been conducted with three CST batches using an SRS Average Simulant. Simulant batch contact equilibrium cesium loading results for the three CST batches (including two lots of one batch) are provided in Table ES-1. The 35 °C data indicates that the archived IE-911 batch has a higher cesium capacity than recently-prepared CST media and that the minor TCCR CST 9120-B media lot (2099000035) has similar cesium removal performance to the major TCCR lot (2099000034). Tests conducted at 25 ºC for the archived IE-911 CST batch indicated lower cesium removal performance with this simulant batch than was observed recently with a different SRS Average Simulant batch. A dilution factor (DF) is typically utilized when modeling engineered CST media cesium loading performance to account for mass contributions from the binder material. In cases where CST performance is lower than expected, this factor includes corrections for the binder and for low performance. The ZAM (Zheng, Anthony, and Miller) Isotherm Model DF values are provided in Table ES-1 for each simulant batch contact result. DF values near 0.5 were determined for the 9120-B and 9140-B CST batch contact tests while DF values near 0.6 (20% higher) were determined for the tests with IE-911. These dilution factors are lower than recently observed with a different SRS Average Simulant batch (9140-B DF = 0.68; IE-911 DF = 1.0). Based on these results, it appears that some component in the simulant solution used for equilibrium testing may have resulted in reduced cesium loading on the CST media.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Integration of genome-scale metabolic model with biorefinery process model reveals market-competitive carbon-negative sustainable aviation fuel utilizing microbial cell mass lipids and biogenic CO 2

Producing scalable, economically viable, low-carbon biofuels or biochemicals hinges on more efficient bioconversion processes. While microbial conversion can offer robust solutions, the native microbial growth process often redirects a large fraction of carbon to CO 2 and cell mass. By integrating genome-scale metabolic models with techno-economic and life cycle assessment models, this study analyzes the effects of converting cell mass lipids to hydrocarbon fuels, and CO 2 to methanol on the facility’s costs and life-cycle carbon footprint. Results show that upgrading microbial lipids or both microbial lipids and CO 2 using renewable hydrogen produces carbon-negative bisabolene. Additionally, on-site electrolytic hydrogen production offers a supply of pure oxygen to use in place of air for bioconversion and fuel combustion in the boiler. To reach cost parity with conventional jet fuel, renewable hydrogen needs to be produced at less than $\$2.2$ to $\$3.1$/kg, with a bisabolene yield of 80% of the theoretical yield, along with cell mass and CO 2 yields of 22 wt% and 54 wt%, respectively. The economic combination of cell mass, CO 2 , and bisabolene yields demonstrated in this study provides practical insights for prioritizing research, selecting suitable hosts, and determining necessary engineered production levels.

09 BIOMASS FUELS↗
DOE OSTI2020

Economic Extraction and Recovery of REEs and Production of Clean Value-Added Products from Low-Rank Coal Fly Ash

The University of North Dakota (UND) Energy & Environmental Research Center (EERC) teamed with Pacific Northwest National Laboratory (PNNL) , the North Dakota Industrial Commission Lignite Research Program, and commercial partners Basin Electric Power Cooperative, Great River Energy, and Southern Company to execute a Cooperative Agreement funded by the U.S. Department of Energy’s (DOE’s) National Energy Technology Laboratory (NETL) focused on identifying unique pathways and pretreatments to extract rare-earth elements (REEs) from low-rank coal (LRC) ash in a more economical and environmentally benign manner than current methods. The EERC drew upon the unique and deep knowledge of the team regarding LRC geochemistry, ash transformation mechanisms during combustion, and fly ash chemistry in the approach to understand the portioning of REEs in LRC ash. A comprehensive characterization effort was undertaken to fully establish the form, associations, and partitioning of the REEs and other elements/minerals of interest in fly ash, as well as the ash chemistry, mineralogy, and morphology. Using this information, the team tested methods of REE extraction to take advantage of the unique and advantageous properties of LRC ash. Multiple complementary approaches were evaluated that combined both novel and proven methods to develop an extractive process for REEs and other high-value metals from LRC ash that provide technological and economic progress on the current state of the art. Methodologies were also evaluated for the potential to synergistically remove toxic metals while extracting other high-value metals from the ash, generating a clean, safe ash material as a value-added product. This would eliminate waste and offer significant additional revenue potential. Based on laboratory-scale testing, an initial high-level technical and economic analysis to estimate operating expenses and product revenues to guide future phases of technology development was implemented. By focusing on minimizing process steps and consumptive use of extraction solutions, a tunable, economically viable process for REE extraction from LRC ash was developed. The tunable process has the ability to be adjusted to adapt to the differing ash chemical and physical properties that are characteristic of LRC ash. This is key to deployment as a commercial process. In demonstrating the process, the EERC was able to illustrate mixed REE concentration greater than the goal of 2 wt%. High-level economic analysis of the process with LRC ash of moderate REE levels demonstrated the potential of the process, but recovery of just the REEs was insufficient to cover operational costs. With the additional extraction of other high-value metals found in LRC ash, the process economics approach would break even, and it is anticipated that with process optimization, the developed process could potentially be economically sound. The same economic analysis performed utilizing LRC ash with high levels of REEs showed the recovery of the REEs alone would make the process economically viable even without further optimization.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2022

Economic Extraction and Recovery of REEs and Production of Clean Value-Added Products from Low-Rank Coal Fly Ash

TechConnect World Innovation Conference & Expo, Washington, DC, June 13–15, 2022. The University of North Dakota (UND) Energy & Environmental Research Center (EERC) teamed with Pacific Northwest National Laboratory; the North Dakota Industrial Commission Lignite Research Program; and commercial partners Basin Electric Power Cooperative, Great River Energy, and Southern Company to execute a Cooperative Agreement funded by the U.S. Department of Energy’s National Energy Technology Laboratory (NETL) focused on identifying unique pathways and pretreatments to extract rare-earth elements (REEs) from low-rank coal (LRC) ash in a more economical and environmentally benign manner than current methods. By focusing on minimizing process steps and consumptive use of extraction solutions, a tunable, economically viable process for REE extraction from LRC ash was developed.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2026

Mapping Interfacial Solution Forces that Drive Fluorescent Nanoparticle Incorporation into Crystals

Interfacial solution structure governs processes ranging from catalytic and electrochemical reactions to particle aggregation and crystallization. Here, we design bio-inspired nanocomposites by mapping interfacial forces and controlling nanoparticle incorporation during crystal growth. Our analytical model contains measured kinetic barriers for surface approaches and equilibrium binding constants with the crystal surface. We validate this model using fluorescent silica nanoparticles and calcite. Our results show that surface chemistry dictates incorporation pathways: methoxy groups are least favorable, hydroxyls reduce kinetic barriers by interacting favorably with hydration layers, carboxylates bind strongly but must overcome a kinetic barrier, and amines outperform all kinetically and thermodynamically. This framework resolves the interplay between interfacial solution structures, particle forces and dynamics, and growth kinetics, enabling predicative control of nanocomposite formation and multiplexed mixed-particle systems.

Zhang, Mingyi [Pacific Northwest National Laborato↗
DOE OSTI2021

A Process Intensification Approach for CO 2 Absorption Using Amino Acid Solutions and a Guanidine Compound

Environmentally friendly amino-acid salt solutions are used for the absorption of carbon dioxide from concentrated flue-gas streams via chemical absorption. Process intensification reduces operating and capital costs by combining chemical reactions and separation operations. Here, we present a new process-intensification approach that combines the CO 2 capture and the amino-acid regeneration steps into a single process carried out in a slurry three-phase reactor. The absorbed CO 2 precipitates as a solid carbonated guanidine compound. The cycle is completed by separation of the solid precipitate to strip the CO 2 and regenerate the guanidine compound, while the liquid solution is recycled to the slurry reactor. The process was studied by modifying a model developed by the authors for a gas-liquid bubble column without the presence of the guanidine compound. The guanidine precipitation reaction was accounted for using kinetic parameters calculated by the authors in another study. The proposed model was implemented by modifying an existing computer code used for the simulation of gas-liquid bubble columns. The calculated results showed that the proposed cycle can significantly reduce energy, equipment, and operating costs and can make an important contribution to developing a competitive cost-effective large-scale process for CO 2 capture.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Multiple Stream Low-Cost Recycling Method

The global composite industry generates large quantities of waste and which mostly end as landfill due to lack of meaningful end-use applications for the multiple waste streams. In a recent report by the Electric Power Research Institute (EPRI), waste generated by the wind industry could reach 370,000 tons a year of composite wind energy blades being decommissioned and scrapped. Wind energy is just one major industry utilizing composite materials. The waste generated by industry includes End-of-Life (EoL) materials and manufacturing process scrap. GreenTex Solutions has developed a unique and innovative technology to recycle the composite waste streams in a range of forms made from production waste and EoL materials. This includes manufacturing waste materials such as dry chopped fiber tow, loose fibers, shredded fibers from reinforcement fabrics, cured/semi-cured prepregs, and it also includes fully-cured composite structure waste (such as edge trims from cured parts) from manufacturing aircraft, automobiles, wind blades, boats, and composite cylinders (tanks). Current recycling methods involve recovering the structural fiber by removing the matrix resin through methods such as pyrolysis. The resulting fibers are used in injection molding or wet laid nonwoven mats and other usable forms. The GreenTex technology bypasses these intermediate steps to create the lowest possible recycling processing costs and the lowest embodied energy/CO2 emissions. The end-product from the GreenTex technology is a finished industrial composite part/application versus intermediate fibers or fabrics. The GreenTex manufacturing process enables cross-industry reuse of recycled feedstock by taking waste from multiple industries (wind energy, aerospace, marine, etc.) and recycles the waste into a product used in other industries. The initial target market application is structural flooring for intermodal shipping containers and truck bodies. One of the team’s key partners is Wabash National which produced 29,000 truck bodies in 2019. The current flooring system is comprised of solid oak “butcher board” laminated panels. Additionally, Mediterranean Shipping Containers (MSC) transports over 1.8 million twenty-foot equivalent units per year in intermodal shipping containers. The current container floor is laminated hardwood that is harvested from the rain forests of Central and South America. The project is to develop a flooring system made from recycled composites that can be qualified for both companies (Wabash and MSC). Initial prototypes validated that the recycled composites panels are lighter and thinner with much higher mechanical strength. These results suggest a typical truck trailer would have 20% lower tare weight. The GreenTex technology is not limited to flooring and is widely applicable to other transportation elements such as walls, roof elements, cab areas and related structural components. Under this project different composite waste streams were evaluated and then combined to develop a formulation that would meet the targeted performance criteria for a flooring system. Wet compression molding was used to fabricate plaques at different tonnage using various composite waste streams. The plaques were tested for flexure and impact.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Understanding Ionizing Radiation-Induced Speciation, Chemistry, and Transport in Nuclear Materials

The research to be presented will cover an overview of three projects supported by the United States Department of Energy Office of Science Solar Photochemistry Program: (i) Radiation-Induced Late Actinide Redox Chemistry (2019–2022); (ii) Understanding Radiation-Induced Iodine Speciation, Chemistry, and Transport in High Temperature Molten Salts (2022–2025); and (iii) Radiation-Induced Chemistry of Nuclear Materials (2023–2026). The overarching aim of these distinct projects is to develop a deep fundamental mechanistic understanding of ionizing-radiation-induced processes occurring in solutions over multiple time and length scales. Investigated solutions range from aqueous to organic to molten salt liquids in the presence and absence of ligands and various redox-active ions and molecules, including the actinides. The ultimate goal of these projects is to utilize the new foundational knowledge gained to construct quantitative multiscale computer models with the capacity to predict radiation-induced behavior in complex systems of relevance to nuclear energy technologies and beyond.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2020

Spontaneously supersaturated nucleation strategy for high reproducible and efficient perovskite solar cells

High-quality perovskite films are predominantly prepared by anti-solvent assisted spin-coating method. How- ever, small device size and narrow operation window limit their applications in practical and scalable production. Here, a spontaneously supersaturated nucleation strategy is developed to fabricate high-quality perovskite films without any antisolvents. The rapid precipitation behavior of the precursor solutions could be triggered by the volatilization of methylamine ethanol at the initial film formation stage, forming uniform and compact intermediate phase films. Mirror-like large area (10 cm × 10 cm) methylammonium lead triiodide (MAPbI 3 ) perovskite films with micrometer-sized grains can be achieved by phase transition via annealing. The average power conversion efficiency (PCE) of 19.4% is achieved for 0.1 cm 2 perovskite solar cells (PSCs). The 1 cm 2 device shows a PCE of 17.57% and retains 96.8% after aging for 39 days in the air with a relative humidity of 5–30%. The perovskite module based on the perovskite films prepared by our strategy exhibits a PCE of 13.13%. Here, the perovskite film fabrication method developed in this work shows high reproducibility of the fabrication process due to the spontaneous nucleation process. Meanwhile, it also exhibits significant potential in the application of scalable solution processing deposition techniques toward the commercialization of PSCs.

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

Panel Session 116: Waste Management from Remediation of Legacy Sites or Unplanned Releases

Past experiences have shown that there is often a disconnect between Indigenous societies and Western society. This disconnect can be attributed to different value systems between these two group and is not limited to the USA and Canada but also extends into Australia, New Zealand, and the Central Asia Republics (the 'five Stans'). The intent of this Panel Session to give voice to representatives from Indigenous communities, the challenges presented in remediation processes, and potential solutions. Standard risk assessment assumptions developed for Western societies often do not adequately address the cultural and spiritual values that may be unique to indigenous societies. This panel focused on the perspectives of Indigenous societies (e.g., Indian Tribes (US), First Nations (Canada)) related to risk assessment of environmental remediation challenges, including deep geological disposal of HLW and ILW, near-surface disposal of LLW and in-situ entombment of nuclear reactor components, and environmental remediation of abandoned uranium mines and historic wastes. Standard risk assessment assumptions often do not adequately address the cultural and spiritual values that may be unique to indigenous societies. Factoring those into a risk assessment that still meets regulatory requirements and policies such as reasonably anticipated land use at US EPA CERCLA sites can be challenging but has the potential to lead to a site or facility approach that is more accepted. Panelists with presentations: The U.S. Nuclear Regulatory Commission Regulatory Process - A Path for Indigenous Knowledge? (Francis Cameron); Local Community Perceptions and Remediation Projects (Michelle Roberts); Indigenous Perspectives on Risk Assessment (Bob Watts); Navajo Superfund Program: Fundamental Law and Traditional Ecological Knowledge (Dariel Yazzie); Risk Assessment: Two Indigenous Approaches (Whitney Fraser)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Brittle-to-Ductile Transitions of Polyelectrolyte Complexes: Humidity, Temperature, and Salt

Polyelectrolyte complexation is an entropically driven, associative phase separation that results in a polymer-rich polyelectrolyte complex (PEC) and a polymer-poor supernatant. PECs show promise as a new class of sustainable materials since they can be processed using aqueous solutions rather than organic solvents. Previous reports have looked at the mechanical properties and glass transitions of PECs as a function of temperature, relative humidity (rH), and salt concentration (CS), but establishing a universal understanding of how these parameters affect PEC mechanics has yet to be achieved. We examined the effects of temperature, rH, and CS on the mechanical properties of PECs formed from poly(methacrylic acid) and poly(trimethyl aminoethyl methacrylate) with a goal of establishing design rules for their mechanical response. Relative humidity was shown to have the most dramatic effect on the mechanical properties, with temperature and salt concentration having far less of an impact. Furthermore, we observed that the glass transition of PECs is tied to both temperature and relative humidity, creating a glass transition rH g /T g line that can be modulated by added salt. Finally, we looked at the thermodynamics behind the glass transition of PECs, which yielded similar energies as the condensation of water. Here, we propose the use of water and/or salt as a low energy and efficient method of processing PECs for various applications.

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

Hierarchically Structured Catalysts Toward Sustainable Hydrogen Economy: Electro‐ and Thermo‐Chemical Pathways

Abstract Hydrogen, as an important clean energy source, plays a more and more crucial role in decarbonizing the planet and meeting the global climate challenge due to its high energy density and zero‐emission. The demand for sustainable hydrogen is increasing drastically worldwide as driven by the global shift towards low‐carbon energy solutions. Thermochemical catalysis process dominates hydrogen production at scale given its relatively mature technology and commercialization status, as well as the established manufacturing infrastructure. While due to its environmentally friendly nature and growing abundant sources of renewable electricity, the electrochemical path for hydrogen production is rising as a major alternative to the thermochemical means. Nevertheless, hierarchically structured catalysts and devices have gradually taken the center stage toward replacing the traditional counterparts, especially with the rapid advancement of the design and manufacture of such ordered nanostructure assemblies toward high activity, efficient mass transport, and superb stability. In this review, the latest progress of the hierarchically structured catalysts for hydrogen production have been surveyed on electro‐ and thermo‐ chemical pathways comparatively. It covers the structure designs of atomic dispersion, nanoscale surfaces and interfaces for achieving highly active and durable catalysts, components, and devices. Both electrochemical and thermochemical approaches are reviewed in terms of the vast design details, engineered benefits, and understandings of various Pt‐group metal (PGM) and non‐PGM based transition metal catalysts for hydrogen production. As the growing trend, brief discussions are also presented toward the high‐level assembly and manufacture of complexly structured components and devices at scale in the electrochemical and thermochemical energy systems.

Deng, Chenxin↗
DOE OSTI2022

Unveiling mechanism of surface-guided platinum nanowire growth

We report surface-guided growth of non-planar nanowires on functional substrates offers the new opportunity to precisely control their diameter, length, density and alignment, which will greatly benefit their direct integration into practical devices for large-scale applications. However, control of noble metal nanowires growth and arrangement remains a great challenge, and the mechanistic understanding is still limited. Herein, we choose Pt as a model material system to study the synthesis conditions required to control the in situ growth of aligned Pt nanowires on flat titanium substrate via a one-step and room-temperature green chemical synthesis process in aqueous solution. Most importantly, it is for the first time discovered that ordered nanoarrays and self-assembled nanoflowers can be directly grown on flat Ti substrate by merely adjusting the reaction times, without use of any soft/hard templates, surfactants and organic solvents. The proposed surface-guided growth mechanisms for nanoarray and nanoflower formation in this study may shed light on understanding of oriented arrangement/assembly of one-dimensional Pt nanowires into desirable morphologies for a variety of practical device applications.

Pt nanoflower↗
DOE OSTI2023

Thermodynamic modeling with uncertainty quantification using the modified quasichemical model in quadruplet approximation: Implementation into PyCalphad and ESPEI

The modified quasichemical model in the quadruplet approximation (MQMQA) considers the first- and the second-nearest-neighbor coordination and interactions, particularly useful in describing short-range ordering (SRO) in complex liquids such as molten salts, slag in metal processing, and electrolytic solutions. Here, the present work implements the MQMQA into the Python based open-source software PyCalphad for thermodynamic calculations. This endeavor facilitates the development of MQMQA-based thermodynamic database with uncertainty quantification (UQ) and propagation (UP) using the open-source software ESPEI. A new database structure based on Extensible Markup Language (XML) is proposed for ESPEI evaluation of MQMQA model parameters. Using the KF-NiF 2 , KCl-NaCl-MgCl 2 , and CaCl 2 -CaF 2 -LiCl-LiF salt systems as examples, we demonstrate the successful implementation of MQMQA in PyCalphad through thermodynamic calculations of Gibbs energy, equilibrium quadruplet fractions, and phase diagram, as well as database development with UQ and UP using ESPEI. Furthermore, as an application of the present implementation, both the LiF–TbF 3 and LiF-HoF 3 systems have been modeled by MQMQA for the first time, which are in good agreement with experiments. The present implementation hence offers an open-source capability for performing CALPHAD modeling for complex liquids with SRO using MQMQA plus a new XML database structure.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Tunable broadband luminescence in lead-free hybrid copper halides

Metal halides are an important class of optoelectronic materials combining exceptional optical and electronic properties. An inherent advantage of metal halides is their solution synthesis and processability, which render them as low-cost and environmentally friendly materials for a range of applications from photovoltaics and photodetection to solid-state lighting (SSL). Here, in this study, we synthesized three previously unreported lead-free organic–inorganic hybrid copper halides: (OA) 4 CuX 5 (X = Br, I; OA + = C 8 H 17 NH 3+ , n-octylammonium cation) and (HA) 2 CuI 3 (HA + = C 6 H 13 NH 3 + , n-hexylammonium cation), all of which exhibit broadband emissions arising from self-trapped excitons (STEs). Among these compounds, (OA) 4 CuI 5 demonstrates tunable dual-band white-light emission with a high color rendering index value of 91 at room temperature. Temperature-dependent photoluminescence measurements and first-principles calculations reveal distinct behaviors between the two emission states in (OA) 4 CuI 5 . These findings highlight the potential of copper halide compounds for optoelectronic applications, particularly in the development of environmentally friendly solid-state lighting technologies.

36 MATERIALS SCIENCE↗