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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

CSP Systems Analysis 2022-2024 (Final Technical Report)

The CSP Systems Analysis project estimates the current market cost of CSP subsystems and technologies for use by the DOE Program and within NREL analysis tools. The project addresses upgrades to NREL's System Advisor Model (SAM) related to CSP, as well as development of new modules within SAM to expand the types of CSP systems that can be simulated and new tools for evaluating CSP subsystem performance or optimizing CSP system layouts, for example, SolarPILOT and SolTrace. The project evaluates the potential cost and performance of new CSP-relevant technologies and generally includes assessment of CSP technologies in support of the DOE subprogram. A primary goal of the CSP System Analysis project is to provide timely and accurate cost data to the DOE to assess the current state of CSP technologies as well as predict performance and cost for pre-commercial and emerging technologies that may impact the industry. Prior work in this task has produced technology cost reports and roadmaps for DOE and highlighted promising research paths that could reduce overall CSP cost, such as the supercritical CO2 power cycle and molten-salt trough systems. CSP Systems Analysis produces modeling tools to evaluate the performance of CSP systems, subsystems, or components, and journal articles, conference papers, technical reports and databases to disseminate information to the CSP industry. CSP technology costs are estimated and tracked using these tools as well as analysis of literature and industry sources. The CSP modeling tools and NREL analysis results are used by researchers; government, financial, and industry analysts; and other CSP stakeholders. The purpose of this final technical report is to summarize the key accomplishments of the past three years of this project. The project was divided into seven separate tasks, and in what follows, we describe the background, objectives, key accomplishments, and path forward for each task within the project, with one section of this report summarizing each task.

14 SOLAR ENERGY↗
DOE OSTI2025

National User Resource for Biological Accelerator Mass Spectrometry (Final Report)

The National User Resource for Biological Accelerator Mass Spectrometry (User Resource) will provide isotopic analysis (primarily radiocarbon or 14C) by accelerator mass spectrometry (AMS) for NIH- funded researchers across the United States and will be the only User Resource of its type in the United States. The User Resource will provide measurement capability and expertise to a research community that requires highly sensitive, quantitative isotope analyses. Since commissioning a new accelerator mass spectrometer in June 2014, we have measured over 4000 samples a year for collaborators and service users. The User Resource will enable us to continue to meet these research needs, as well as provide for new users whose research programs would benefit from AMS as a measurement tool. The User Resource’s forte will be ultra-high sensitivity quantitation of radiocarbon and selected other radioisotopes for research studies where isotopes are required. Radioisotope labeling studies have been and will continue to be an important tool for addressing many complex biomedical science problems. AMS is a specialized and unique type of mass spectrometry that provides absolute quantitation of radiocarbon and other relevant radioisotopes with extreme sensitivity, having limits of detection in real samples on the order of a few attomol/mg of sample at measurement precisions of ~3%. It is the only instrumental method capable of quantifying radioisotope-labeled agents routinely in real-world samples with such precision and sensitivity. The sensitivity of AMS allows for the quantification of radiolabeled metabolites in extremely complex matrices of cells and organisms at very low concentrations and in small samples. AMS allows studies to be conducted without perturbing metabolism leading to more relevant quantification of metabolic rates and pathways. In addition, it enables quantification of pharmacokinetic and metabolic properties of toxicants at environmentally relevant concentrations in model systems as well as the ability to quantify pharmacokinetics and other molecular endpoints directly in humans. Such quantitative assessments can 1) improve risk assessment for toxicants, 2) address safety and efficacy considerations for therapeutic entities, 3) deepen understanding of xenobiotic and intermediary metabolism, 4) help understand the interactions between critical molecular pathways, and 5) improve efforts to model and predict various metabolic and biological states. These capabilities have been applied in a number of areas including research in carcinogenesis, toxicology, nutrition, pharmacology/drug development and basic biological science. As a NIGMS National Resource the National User Resource for Biological Accelerator Mass Spectrometry will help NIH funded scientists achieve a deeper understanding of the etiology of human health concerns by (1) enabling the quantification of pharmacokinetics and other molecular endpoints directly in humans; (2) offering the ability to conduct quantitative studies using biologics such as proteins or lipids, and thereby reducing the amount of radioisotope usage in biomedical labs; and (3) enabling more relevant studies of metabolic pathways in health and disease through the use of much lower, more biologically-relevant, concentrations of metabolic substrates in cells and intact organisms. Such studies support NIGMS’s basic biomedical research areas that contribute to the understanding of fundamental cellular and physiological principles and enable research supported by the Biophysics, Biomedical Technology, and Computational Biosciences (BBCB); Genetics and Molecular, Cellular, and Developmental Biology (GMCDB); Pharmacology, Physiology, Biological Chemistry (PPBC) and Training, Workforce Development, and Diversity (TWD) Divisions. Over the next five years, our goals are to: 1. Improve the efficiency of operation for AMS measurements through installation of new interfaces to our AMS systems, technical modifications to improve gas accepting ion source efficiency and upgrading our data analysis software for improved ease of use and data reporting. 2. Increase the accessibility and visibility of ultra-sensitive 14C measurements for the biomedical research community by training of new investigators and expanding our national user base. 3. Provide high throughput, ultra-sensitive 14C analysis for the NIGMS and NIH user community.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

Development of Digital Twin-Informed Predictive Maintenance for Critical Components in Advanced Reactors

Small modular reactors (SMRs) and microreactors, along with other advanced reactor (AR) technologies, are key to the future of nuclear energy. For these systems to achieve low operating costs, high reliability, and flexibility across applications, their operation and maintenance must be optimized. Digital twin (DT) technology is one of the technologies that enables real-time (or faster than real-time) monitoring and prognosis of critical components which are vital for operational efficiency, low costs, and enhanced safety of ARs, accelerating their deployment. DT technology provides dynamic virtual representation of physical assets by integrating real-time data, physics-based models, and advanced analytics, which is critical to optimizing the performance of the entire energy system throughout the life cycle. DTs empower engineers and operators to virtually explore different scenarios, configurations, and control strategies, allowing for the identification of optimal solutions that maximize reactor efficiency, safety, and economics.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Long-read sequencing transcriptome quantification with lr-kallisto

RNA abundance quantification has become routine and affordable thanks to high-throughput “short-read” technologies that provide accurate molecule counts at the gene level. Similarly accurate and affordable quantification of definitive full-length, transcript isoforms has remained a stubborn challenge, despite its obvious biological significance across a wide range of problems. “Long-read” sequencing platforms now produce data-types that can, in principle, drive routine definitive isoform quantification. However some particulars of contemporary long-read datatypes, together with isoform complexity and genetic variation, present bioinformatic challenges. We show here, using ONT data, that fast and accurate quantification of long-read data is possible and that it is improved by exome capture. To perform quantifications we developed lr-kallisto, which adapts the kallisto bulk and single-cell RNA-seq quantification methods for long-read technologies.

Loving, Rebekah K. (ORCID:0000000187250376)↗
DOE OSTI2025

New directions and principles for solvent extraction for recovery of lithium from aqueous brines and mineral leachates: A brief review

Increasing demand for lithium for manufacturing of batteries is fueling the unprecedented search for improved recovery and alternative sources. Wider source distribution, lower energy consumption, and greater sustainability make extraction of lithium from brines, both natural and process-derived, an attractive alternative to mineral ores. Solvent extraction, used industrially for production of metals, salts, and pharmaceuticals, has been investigated as a methodology for lithium recovery for several decades. However, industrial application of solvent extraction for lithium recovery has so far been limited. In contrast, direct lithium extraction using adsorbents based on inorganic minerals has rapidly advanced from research to commercialization. A comparison of solvent extraction processes to adsorption highlights these issues and explains the preference for adsorbents. Although the application of solvent extraction has been criticized for use of large amounts of acid, alkali, and organic solvents, steady progress has been made to improve its potential for industrial lithium production, spurred on generally by the advantages of solvent extraction in selectivity and throughput. Previously developed beta-diketone, organophosphate, and crown ether ligands are being adapted and improved. Their novel use with ionic liquids, deep eutectic solvents, and membrane technologies promises to expand capabilities for extraction of lithium from dilute aqueous sources while improving sustainability. Possibilities for further discovery and innovation abound. In this review, we provide a unique perspective from the field of solvent extraction starting with fundamentals such as ion-transfer theory and apply them to understanding lithium selectivity and extraction behavior. In conclusion, the results are cast in the light of the practical realities of developing economical solvent extraction processes.

Brine↗
DOE OSTI2025

Development of Li–S Battery Cells with High Energy Density and Long Cycling Life

Lithium–sulfur (Li–S) batteries are considered one of the most promising next-generation energy storage technologies for electric vehicles, owing to their high energy density (up to three times greater than current lithium-ion batteries) and the low cost of sulfur (approximately 100 times cheaper than conventional cobalt oxide). However, several challenges hinder their commercial viability, including the electronically and ionically insulating nature of sulfur, polysulfide dissolution, and lithium dendrite growth. These issues significantly limit battery energy density and cycle life and must be addressed to enable successful commercialization. Current strategies involving porous carbon structures, additives, and electrocatalyst engineering have not fully resolved the polysulfide dissolution problem. While polysulfide-free cathode materials offer a promising solution, they often suffer from low sulfur content, leading to reduced discharge capacity and sluggish reaction kinetics. To overcome these limitations, we have developed novel soluble-polysulfide-free sulfur cathode active materials with a high sulfur content (>50 wt%). By integrating these cathodes with functional binders, optimized electrolyte formulations, and refined electrode fabrication techniques, we demonstrate Li–S batteries with both high energy density and long cycle life. This advancement brings the realization of low-cost, high-energy Li–S batteries significantly closer to practical application.

25 ENERGY STORAGE↗
DOE OSTI2025

An Open-Source Python Package for CFD Solution Verification

Informed decision-making using computational fluid dynamics (CFD) results requires quantifying the errors and uncertainties of a simulation. Verification, validation, and uncertainty quantification (VVUQ) methods were developed to address this need and have matured. However, these VVUQ analyses are often non-trivial and require CFD analysts and practitioners to have specific skill sets. This has led to the uneven adoption of VVUQ analyses, in part, based on the availability of software tools to aid CFD analysts and practitioners. Solution verification, a procedure to evaluate the accuracy of a simulation by estimating potential errors arising from the computational model and computing the uncertainties without comparing to results from a physical system, is one of the lagging VVUQ analyses as the absence of software has forced CFD analysts and practitioners to develop their own codes or piece together incomplete software from across the internet. This work presents an opensource Python package, CFDverify, to lower the barrier of entry and fill in the technological gap in solution verification. CFDverify also provides a streamlined framework to remove some potential errors in post-processing CFD results. The hope is that CFDverify can improve the quality and quantity of CFD solution verification in scientific and research studies and attract interest in developing a communal tool. This paper describes the design, features, and an example use of CFDverify.

Weinmeister, Justin [ORNL] (ORCID:0000000160090237↗
DOE OSTI2025

An Approach to Automate tools for the Risk Assessment of Digital Instrumentation and Control Systems

Reliable digital instrumentation and control systems (DI&C) are integral for sustaining the continued operation of nuclear power plants. These systems ensure that nuclear reactors operate safely, efficiently, and within regulatory requirements. Yet, the cost of designing and licensing new nuclear DI&C can be prohibitively expensive. Under the U.S. Department of Energy Light Water Reactor Sustainability Program, Idaho National Laboratory has developed a framework for supporting the risk-informed design of DI&C systems by offering methods to support the identification, quantification, and evaluation of risks for various DI&C design architectures. The framework indicates potential software failure modes and provides pathways for quantifying the potential for these software failures, including common cause failures. Using the framework’s systematic approach, challenges for assessing risks within new and existing nuclear DI&C systems can be reduced. Nevertheless, the current framework can be further improved using the convenience of automation. This paper introduces the development of Software for the Hazard Identification and Evaluation of Digital Systems (SHIELDS). SHIELDS is an engineering software package that enables the identification, elimination, and mitigation of potential risks and reduces the burden of deploying reliable DI&C systems. This work introduces plans and techniques to digitize and improve the manual risk assessment modules of the framework. These improvements will save time and increase the repeatability and usability of the framework, making it more accessible to a wider range of users. Ultimately, this introduces SHIELDS and how its modules support efficient development of safe and reliable DI&C systems.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗
DOE OSTI2026

Development of in situ thickness sensor for vapor diffused Nb3Sn films

Fermilab is one of the leaders in development of vapor diffused Nb3Sn films inside niobium cavities. This material has a higher critical temperature (Tc) than niobium, enabling cavity operation at 4.2 K. This higher operational temperature significantly reduces the infrastructure required for cooling compared to 2 K systems, making superconducting radio-frequency (SRF) technology more accessible. Current deposition methods have relied on iterative testing to determine nominal film thickness, a process that can be time-consuming and imprecise. To address this, we are developing a sensor to measure the thickness of Nb3Sn thin film in situ during vapor diffusion. Our design involves the resistance measurement of a thin film of niobium. During coating, the change in resistance reflects the conversion of the film to Nb3Sn, which allows simple integration with the current furnace infrastructure. This sensor would allow real time measurement of the thickness, allowing for increased precision in future depositions.

Howard, K. [Unlisted] (ORCID:0000000325613308)↗
DOE OSTI2026

Development of in situ thickness sensor for vapor diffused Nb3Sn films

Fermilab is one of the leaders in development of vapor diffused Nb3Sn films inside niobium cavities. This material has a higher critical temperature (Tc) than niobium, enabling cavity operation at 4.2 K. This higher operational temperature significantly reduces the infrastructure required for cooling compared to 2 K systems, making superconducting radio-frequency (SRF) technology more accessible. Current deposition methods have relied on iterative testing to determine nominal film thickness, a process that can be time-consuming and imprecise. To address this, we are developing a sensor to measure the thickness of Nb3Sn thin film in situ during vapor diffusion. Our design involves a four-point resistance measurement of a thin film of niobium, inside the coating region. During coating, the change in resistance reflects the conversion of the film from Nb to Nb3Sn, which allows simple integration with the current furnace infrastructure. This sensor would allow real time measurement of the Nb3Sn film thickness, allowing for increased precision in future depositions for cavity applications.

Howard, K. [Chicago U.] (ORCID:0000000325613308)↗
DOE OSTI2025

Development of copper thiolate organometallic compound as thermal sensitive coating for energy storage system safety

Safety and reliability are primary concerns for the deployment of lithium-ion batteries, especially in electric vehicles (EV) and larger-scale energy storage systems (ESS). Current technology in battery management systems (BMS) includes cell voltage monitoring and positioning temperature sensors in selected locations. For a system with hundreds to thousands of individual batteries, single-point temperature monitoring is inadequate to detect hot spots and cell overheating, which could lead to thermal runaway. Here, we have developed a temperature-sensitive copper-thiol compound that can be directly coated onto battery pouch foils to enable early detection of thermal runaway. Upon reaching specific temperatures, this compound releases a sulfur-containing detectable gas, which can be identified using chemically specific gas sensors to trigger an early warning signal. Such a signal propagate through air offers broad signal coverage and enables a more comprehensive approach to large-area temperature monitoring. The Cu-ethanethiol coating is designed to release volatile gases when the substrate surface temperature exceeds 70 °C, with continuous outgassing as the temperature increases. The compound is composed of Cu, S, Cl, hydrocarbons and trace amounts of oxygen. Upon heating, the oxidation state of Cu(I) transitions to Cu (II), accompanied by gas release. Thermogravimetric analysis coupled with mass spectrometry correlated well with the onset of gas release temperature and emission of sulfur-containing volatile gases. Additionally, an acrylic overcoat is applied to enhance the adhesion of the thermally sensitive compound film to the battery pouch foil. This coating is expected to offer an additional safety layer for ESS, alerting possible thermal runaway events before a failure occurs, thereby allowing sufficient time to implement a mitigation plan.

Early warning systems↗
DOE OSTI2025

Illinois Storage Corridor CarbonSAFE Phase III: Stakeholder Engagement and Outreach Plan

The Stakeholder Engagement and Outreach Plan provides a comprehensive framework for engaging stakeholders of the Illinois Storage Corridor (ISC) project. The ISC project is a CarbonSAFE Phase III project designed to facilitate commercial deployment of carbon capture, utilization, and storage (CCUS) in Illinois. The project aims to establish a multi-industry carbon storage corridor through development of storage sites near the One Earth Energy (OEE) ethanol production facility in north-central Illinois and the Prairie State Generating Company (PSGC) coal-fired power plant in south-central Illinois, with combined annual CO 2 capture ultimately exceeding 8.6 million tons per year. Stakeholder engagement is recognized as a critical component for successful CCUS deployment, alongside technical and economic considerations. As an emerging technology, CCUS may not be well understood by the general population, and lack of public awareness can lead to opposition that poses significant barriers to project development. This plan addresses this challenge through systematic stakeholder identification, analysis, planning, and implementation of engagement actions. The plan is structured around four main sections: Communication, Stakeholder Analysis, Stakeholder Engagement, and Environmental Justice. Activities will be conducted under Tasks 1 and 4 of the project's Statement of Project Objectives, with two key subtasks: (1) developing a stakeholder analysis and engagement plan through face-to-face meetings, facilitated discussions, and surveys; and (2) implementing stakeholder engagement and public outreach activities including meetings, open houses, and permit hearings. The Illinois State Geological Survey (ISGS) will manage engagement activities following DOE-NETL best practices, focusing on providing objective, fact-based information about CCUS and the ISC project. A comprehensive Communication Plan establishes protocols for media contacts, site visits, and crisis communications. The stakeholder analysis follows a structured workflow process divided into Pre-feasibility and Feasibility phases, incorporating contextual understanding, assessment, data collection, and analysis. Key stakeholder groups include government bodies, educational organizations, conservation and environmental groups, agricultural communities, and religious organizations. The plan addresses common stakeholder questions regarding project risks, benefits, safety, property values, liability, and environmental impacts. Recommendations emphasize developing clear messaging, creating informational materials, and preparing to address both project-specific and broader environmental concerns to ensure transparent communication and build stakeholder support throughout project implementation.

25 ENERGY STORAGE↗
NASA NTRS2026

Turbofan Engine Power Extraction Demonstration Final Report

As GE Aerospace advances toward a revolutionary step change in propulsion efficiency, the integration and demonstration of new engine architectures and technology systems are essential. The NASA Turbofan Engine Power Extraction Demonstration (PEx), conducted through the Hybrid Thermally Efficient Core (HyTEC) project, aims to develop and demonstrate megawatt-class hybrid electric capability on a modern commercial turbofan engine. The hybrid electric system is critical to meeting the needs of the U.S. aviation industry for next-generational propulsion systems with greater efficiency, durability, and range. This supports energy independence and helps ensure the security and resilience of one of America's largest export industries. The PEx project specifically targets three key objectives: mechanically integrating hybrid electric capability into a commercial turbofan engine, integrating electric machine control with turbofan control for advanced power management, and de-risking performance modeling of future hybrid electric architectures. To mature these technologies to Technology Readiness Level (TRL) 6, a series of electric power system component tests and a baseline engine performance test campaign were conducted. These efforts culminated in an integrated hybrid electric turbofan test campaign demonstrating power extraction, power insertion, and power transfer between spools. Tests of the electric power system were completed at GE Aerospace’s Electrical Power Integrated Systems Center in Dayton, Ohio and engine tests were completed at Peebles Test Operation in Peebles, Ohio. Hybrid electric trade studies extended the demonstrated capability to altitude using the validated cycle model from the PEx test campaigns, allowing for comments on expanded mission benefits not demonstrated in the ground campaign. The knowledge gained from PEx also supports GE Aerospace’s Compact Core Demonstrator as part of HyTEC Phase 2 and ultimately informs the implementation of hybrid electric systems in the next generation of GE Aerospace commercial engine products. This report provides a summary of the program background, test campaigns, trade studies, and insights into the technical maturation required to support future commercial products.

Hybrid Electric↗
DOE OSTI2026

A Review and Outlook on Experimental Advances and Innovations in Geological CO 2 Storage: Insights from Depleted Gas Reservoirs and Saline Aquifers

Geological storage of carbon dioxide (CO 2 ) in depleted gas reservoirs and deep saline aquifers is a key part of global decarbonization efforts. As carbon capture and storage advances toward commercial-scale deployment, the credibility and scalability of laboratory experiments are increasingly vital for guiding safe and effective field implementation. This review offers a comprehensive, cross-scale evaluation of experimental methodologies, including core flooding, high-pressure, high-temperature systems, microfluidic visualization, and emerging systems such as multilayer commingled/compartmentalized core flooding, 3D-printed micromodels, and AI-powered digital twins. These innovations are demonstrated to enhance representativeness, reproducibility, and real-time insight, thereby addressing the limitations of conventional workflows. A critical analysis of methodological gaps, such as inconsistent pressure–temperature conditions, oversimplified brine chemistry, and a lack of standardization, reveals experimental sources of scale translation errors and performance uncertainty. By comparing the unique challenges of depleted gas reservoirs (such as low water saturation and legacy well leakage) to those of saline aquifers (including pressure buildup and caprock integrity), this review identifies formation-specific priorities for experimental design. Novel contributions include a synthesis of best practices, integration strategies for model calibration, and recommendations for standardizing core handling, saturation procedures, and reporting protocols. Furthermore, this work serves as a guide for developing robust, field-relevant experimental strategies that can increase the deployment and regulatory acceptance of CO 2 storage technologies at scale.

58 GEOSCIENCES↗
DOE OSTI2026

Graphene Quantum Dot Composites Embedded with CoZn Alloy Nanoparticles for Enhanced Oxygen Reduction and Evolution Reactions

Developing efficient and durable electrocatalysts for oxygen reduction (ORR) and oxygen evolution reactions (OER) is crucial for energy conversion technologies. In this study, core–shell graphene quantum dot (GQD) composites embedded with Co, Zn, and CoZn alloy nanoparticles were synthesized using a solid-state microwave synthesis method and systematically investigated for their electrochemical performance. The structural and compositional analyses confirm that the integration of transition metal nanoparticles enhances the electronic properties of GQDs, providing abundant active sites and facilitating charge transfer. Electrochemical characterization reveals that GQD-CoZn-3 (GQD:Co:Zn = 10.5:0.5:0.5) exhibits superior ORR and OER catalytic activities, achieving the highest current densities of 205 A g–1 and 102 A g–1 at 100 mV s–1, respectively. These performance values surpass those of pristine GQDs and single-metal (Co or Zn) embedded counterparts, emphasizing the strong synergistic effect between the CoZn alloy and the functionalized carbon framework. Impedance measurements further reveal a substantial reduction in charge-transfer resistance, while chronoamperometry tests demonstrate excellent catalytic stability and CO tolerance, highlighting the robustness of the core–shell GQD structure. These findings provide valuable insights into the design of advanced carbon-based electrocatalysts for energy applications.

Panda, Pradeep Kumar↗
DOE OSTI2025

Feasibility of carbon foam-based sorbents for the abatement of gaseous mercury and iodine

The U.S. Department of Energy Hanford Site in Washington State is in the process of commissioning the Waste Treatment and Immobilization Plant to process a portion of the 54 million gallons of radioactive and chemical waste from cold war weapon production. Technologies for the capture of volatile species of concern are still being assessed, and new methods and materials are developed as operational and flowsheet mission risks are identified. One such area still being assessed is the abatement efficacy of the Carbon Adsorber units to retain gaseous mercury and 129 I released during processing. It is challenging to predict the mercury chemistry due to the variability of the feed, and different methods/materials are required for the capture of gaseous Hg 0 and Hg II compounds. In this study, the feasibility of using developmental carbon foam (CF) sorbents for the capture of iodine and mercury was assessed using static and dynamic flow testing and compared against a commercially available sorbent, BATII-37. Both CF and CF functionalized with bismuth particles (CF-Bi) chemisorbed iodine, and CF-Bi had similar mercury capture performance to BATII-37 in dynamic flow tests. While species loading concentrations were measurable, limitations in achieving a mass balance prevented a full evaluation of capture efficacy. Nonetheless, the results serve as an important first step in demonstrating the potential for simultaneous iodine and mercury capture.

Hanford site↗
DOE OSTI2024

Lanthanide binding peptide surfactants at air–aqueous interfaces for interfacial separation of rare earth elements

Rare earth elements (REEs) are critical materials to modern technologies. They are obtained by selective separation from mining feedstocks consisting of mixtures of their trivalent cation. We are developing an all-aqueous, bioinspired, interfacial separation using peptides as amphiphilic molecular extractants. Lanthanide binding tags (LBTs) are amphiphilic peptide sequences based on the EF-hand metal binding loops of calcium-binding proteins which complex selectively REEs. We study LBTs optimized for coordination to Tb 3+ using luminescence spectroscopy, surface tensiometry, X-ray reflectivity, and X-ray fluorescence near total reflection, and find that these LBTs capture Tb 3+ in bulk and adsorb the complex to the interface. Molecular dynamics show that the binding pocket remains intact upon adsorption. We find that, if the net negative charge on the peptide results in a negatively charged complex, excess cations are recruited to the interface by nonselective Coulombic interactions that compromise selective REE capture. If, however, the net negative charge on the peptide is −3, resulting in a neutral complex, a 1:1 surface ratio of cation to peptide is achieved. Surface adsorption of the neutral peptide complexes from an equimolar mixture of Tb 3+ and La 3+ demonstrates a switchable platform dictated by bulk and interfacial effects. The adsorption layer becomes enriched in the favored Tb 3+ when the bulk peptide is saturated, but selective to La 3+ for undersaturation due to a higher surface activity of the La 3+ complex.

Ortuno Macias, Luis E. (ORCID:0000000284342192)↗