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DOE OSTI2025

Ligand-Functionalized Polymer Membranes for Selective Ion Separations

Selective ion separations are central to technologies spanning water purification, resource recovery, and clean energy. Conventional polymer membranes, which rely on steric hindrance or Donnan exclusion, struggle to discriminate between chemically similar ions in high-ionic-strength environments. Ligand-functionalized membranes offer a transformative strategy by embedding molecular recognition directly into polymer matrices, enabling selective complexation and transport. Here, this Viewpoint highlights the structure–function relationships underlying ligand-mediated ion separation, emphasizing the interplay of dehydration penalties, ligand coordination, and nanoscale confinement. We discuss design principles, denticity, donor identity, rigidity, and spatial organization, alongside the permeability–selectivity trade-off, multicomponent effects, and stability challenges. Finally, we outline emerging strategies, from bioinspired ligands to computationally guided design, that chart a path toward next-generation membranes for precise and energy-efficient ion separations.

ions↗

DOE OSTI2022

Designing polymeric membranes with coordination chemistry for high-precision ion separations

State-of-the-art polymeric membranes are unable to perform the high-precision ion separations needed for technologies essential to a circular economy and clean energy future. Coordinative interactions are a mechanism to increase sorption of a target species into a membrane, but the effects of these interactions on membrane permeability and selectivity are poorly understood. We use a multilayered polymer membrane to assess how ion-membrane binding energies affect membrane permeability of similarly sized cations: Cu 2+ , Ni 2+ , Zn 2+ , Co 2+ , and Mg 2+ . We report that metals with higher binding energy to iminodiacetate groups of the polymer more selectively permeate through the membrane in multisalt solutions than single-salt solutions. In contrast, weaker binding species are precluded from diffusing into the polymer membrane, which leads to passage proportional to binding energy and independent of membrane thickness. Our findings demonstrate that selectivity of polymeric membranes can markedly increase by tailoring ion-membrane binding energy and minimizing membrane thickness.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Hydrogen-Based Energy Storage Systems for Large-Scale Data Center Applications

Global demand for data and data access has spurred the rapid growth of the data center industry. To meet demands, data centers must provide uninterrupted service even during the loss of primary power. Service providers seeking ways to eliminate their carbon footprint are increasingly looking to clean and sustainable energy solutions, such as hydrogen technologies, as alternatives to traditional backup generators. In this viewpoint, a survey of the current state of data centers and hydrogen-based technologies is provided along with a discussion of the hydrogen storage and infrastructure requirements needed for large-scale backup power applications at data centers.

08 HYDROGEN↗

DOE OSTI2022

Achieving American Leadership in Cybersecurity and Digital Components Factsheet

The Biden Administration’s efforts to meet 100% clean electricity by 2035 and net-zero greenhouse gas emissions by 2050 has created opportunities to rebuild American supply chains create new jobs, strengthen community engagement, and spur U.S. economic growth. DOE’s strategy for success in the transition to a clean energy economy hinges on building and maintaining technology supply chains that are advanced, secure, and resilient to cyber threats. As the energy sector grows increasingly globalized, complex, and digitized, the supply chain for digital components of energy systems – including software, virtual platforms and services, and data – is facing greater threats. Nearly all digital components of U.S. energy sector systems are vulnerable to cyber supply chain instability, stemming from a variety of causes and shared among a broad set of interdependent stakeholders. Overall, supply chain risks for digital components in energy sector systems will continue to evolve and likely increase as these systems are increasingly interconnected, digitized, and remotely operated.

CCE↗

DOE OSTI2023

Clean Hydrogen: Energy Carrier, Renewables Enabler, and Sector Coupler to Accelerate the Energy Transition and Meet Climate Goals

Comprehensive, concerted efforts supported by the U.S. Department of Energy (DOE), Office of Energy Efficiency and Renewable Energy (EERE), Hydrogen and Fuel Cell Technologies Office (HFTO) are advancing research and development to demonstrate clean hydrogen production and industrial decarbonization pathways. These pathways enable an economically competitive and environmentally beneficial future energy system across sectors and can address specific applications that are difficult to decarbonize. Initiatives include the Hydrogen Energy Earthshot, H2@Scale, National Clean Hydrogen Strategy and Roadmap, H2NEW: Hydrogen from Next-generation Electrolyzers of Water Consortium, HydroGEN: Advanced Water Splitting Materials Consortium, BioH2 Consortium, HyMARC Hydrogen Materials Advanced Research Consortium, and M2FCT: Million Mile Fuel Cell Truck Consortium.

clean hydrogen↗

DOE OSTI2020

Flexible Nuclear Energy for Clean Energy Systems

Clean low-emission energy systems will increasingly need flexible energy technologies tailored for an individual country's energy resources, infrastructure, and social objectives. While solutions may be unique, the diversity of experience from various countries can help create innovative approaches. Hybrid renewable and flexible nuclear energy systems are a solution explored by the countries and organizations of the Nuclear Innovation: Clean Energy Future (NICE Future) initiative of the Clean Energy Ministerial. We found that operational, product, and deployment flexibility could help expand clean energy systems globally.

Clean Energy Ministerial↗

DOE OSTI2024

Assessment of Electric Grid Transmission System Simulator for Human Factors Research

Over the past decades, various technologies have been developed for electric grid operations to support clean energy, meet rising electricity demands, and address infrastructure concerns. However, the human factors aspect is often overlooked during rapid integration. Questions persist about how these technologies impact human performance. Simulators play a critical role in supporting investigation of human factors design concepts and conducting comprehensive usability testing to evaluate human performance and assess human reliability. This paper aims to address human factors research simulator requirements and conduct a comparative study of six different simulators. A detailed evaluation reveals that the evaluated simulators lack the ability to customize user interfaces. Additionally, their user interface designs do not fulfill the basic human factors design principles, potentially leading to increased response variability and reduced statistical power when conducting controlled experimental research. In the future, it is essential to develop scripting tools to integrate customizable user interfaces and simulation models, ensuring meeting research requirements.

Li, Ruixuan↗

DOE OSTI2023

Clean Cities Coalitions: Advancing Affordable, Efficient, and Clean Transportation Fuels and Technologies

A collaborative network of more than 75 Clean Cities coalitions boosts the country's economic vitality, energy security, and quality of life by advancing the deployment of affordable, efficient, and clean transportation fuels and technologies. Coalitions provide the technical expertise local decision makers and fleets need to understand and implement alternative and renewable fuels, electric vehicles, idle-reduction measures, fuel economy improvements, new mobility choices, and emerging transportation technologies.

ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2023

Clean Cities Coalitions: Advancing Affordable, Efficient, and Clean Transportation Fuels and Technologies

ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2024

EverGREEN 2045: An Energy Mix to Decarbonize Washington State

Washington State’s future resource mix is likely to be comprised of intermittent renewables and carbon-free generation including hydropower by 2045. Generation will likely be comprised of wind, solar photovoltaic (PV), batteries, pumped storage hydropower (PSH), existing nuclear power plants, and potentially enhanced geothermal systems and advanced nuclear reactor technologies. To assess the cost and stability of the future resource mix, we partner with X-energy (advanced reactor design) and AltaRock Energy (enhanced geothermal system) for proprietary cost data. After estimating the costs of these two new technologies, we design plausible future resource mix scenarios to meet Washington State’s Clean Energy Transformation Act which transitions the state to carbon-free generation by 2045. We assess the cost and stability of the future resource mix with power system analysis tools, finding revenues are sufficient to cover variable operating and maintenance costs for most technologies providing power in 2030 and 2045, but capacity payments or power purchase agreements will likely be necessary for flexible resources, including enhanced geothermal systems and advanced nuclear reactors, to participate in the future resource mix.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2020

High-Performance Integrated Window and Façade Solutions for California

The researchers developed a new generation of high-performance façade systems and supporting design and management tools to support industry in meeting California’s greenhouse gas reduction targets, reduce energy consumption, and enable an adaptable response to minimize real-time demands on the electricity grid. The project resulted in five outcomes: (1) The research team developed an R-5, 1-inch thick, triplepane, insulating glass unit with a novel low-conductance aluminum frame. This technology can help significantly reduce residential cooling and heating loads, particularly during the evening. (2) The team developed a prototype of a windowintegrated local ventilation and energy recovery device that provides clean, dry fresh air through the façade with minimal energy requirements. (3) A daylight-redirecting louver system was prototyped to redirect sunlight 15–40 feet from the window. Simulations estimated that lighting energy use could be reduced by 35–54 percent without glare. (4) A control system incorporating physics-based equations and a mathematical solver was prototyped and field tested to demonstrate feasibility. Simulations estimated that total electricity costs could be reduced by 9-28 percent on sunny summer days through adaptive control of operable shading and daylighting components and the thermostat compared to state-of-the-art automatic façade controls in commercial building perimeter zones. (5) Supporting models and tools needed by industry for technology R&D and market transformation activities were validated. Attaining California’s clean energy goals require making a fundamental shift from today’s ad-hoc assemblages of static components to turnkey, intelligent, responsive, integrated building façade systems. These systems offered significant reductions in energy use, peak demand, and operating cost in California.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2021

Solar +: Clean Energy Strategies for the Sunshine State (Final Technical Report (FTR) of the Florida Alliance for Accelerating Solar and Storage Technology Readiness (FAASSTeR))

This reports on a four-year effort to provide foundational research, analysis, strategies and assistance to help Florida, and other states that might learn from this work, to grow solar energy in conjunction with other distributed energy resources by addressing and overcoming existing barriers, and in way that delivers increased value. The start of this effort coincided with an inflection point of sorts into a new dawn for solar energy in Florida, where the Sunshine state’s national ranking in total installed solar, according to the Solar Energy Industries Association (SEIA), has rose from 13th to 4th. Florida has now become the national leader in annual utility-scale solar growth as dozens of large plants have come online. Also, during this time, Florida utilities have expressed a strong and growing interest in understanding the role of energy storage and how to best plan for and deploy this unique resource as part of strategies to grow solar. The utility-scale solar growth experienced has been fueled by the economics of solar cost-parity with natural gas combined cycle plants and Florida Public Service Commission’s (PSC) approval of cost-recovery for the Investor-Owned Utilities (IOU’s), primarily through the Solar Base Rate Adjustment (SoBRA) mechanism. This has led to gigawatts (GW’s) of rate-based solar capacity additions over several years, along with fairly significant amounts of energy storage. Meanwhile, municipal electric utilities, which, collectively, are the third largest source of power in the state, have been increasing solar considerably through power purchase agreements (PPA’s) and are on track to have close to 1 GW of grid-connected solar by 2024. Florida’s municipal utilities and the Florida Municipal Electric Association (FMEA) have been key partners in the Florida Alliance for Accelerating Solar and Storage Technology Readiness (FAASSTeR), formed to carry out this effort. The six largest of these have been Core Team utilities, engaging throughout the project in weekly calls, discussions, and project direction, participating in and hosting workshops and benefiting from technical assistance in several areas.

14 SOLAR ENERGY↗

DOE OSTI2021

Techno-economic analysis of long-duration energy storage and flexible power generation technologies to support high-variable renewable energy grids

As variable renewable energy penetration increases beyond 80%, clean power systems will require long-duration energy storage or flexible, low-carbon generation. Here, we provide a detailed techno-economic evaluation and uncertainty analysis of applicable technologies and identify challenges and opportunities to support electric grid planning. We show that for a 120-h storage duration rating, hydrogen systems with geologic storage and natural gas with carbon capture are the least-cost low-carbon technologies for both current and future capital costs. These results are robust to uncertainty for the future capital cost scenario, but adiabatic compressed air and pumped thermal storage could be the least-cost technologies in the current capital cost scenario under uncertainty. Finally, we present a new storage system using heavy-duty vehicle fuel cells that could reduce the levelized cost of energy by 13%–20% compared with the best previously considered storage technology and, thus, could help enable very high (>80%) renewable energy grids.

25 ENERGY STORAGE↗

DOE OSTI2020

Controlling Covalency and Anion Redox Potentials through Anion Substitution in Li-Rich Chalcogenides

Development of next-generation battery technologies is imperative in the pursuit of a clean energy future. Toward that end, battery chemistries capable of multielectron redox processes are at the forefront of studies on Li-based systems to increase the gravimetric capacity of the cathode. Multielectron processes rely either on the iterative redox of transition metal cations or redox involving both the transition metal cations and the anionic framework. Targeting coupled cation and anion redox to achieve multielectron charge storage is difficult, however, because the structure–property relationships that govern reversibility are poorly understood. In an effort to develop fundamental understanding of anion redox, we have developed a materials family that displays tunable anion redox over a range of potentials that are dependent on a systematic modification of the stoichiometry. We report anion redox in the chalcogenide solid solution Li 2 FeS 2–y Se y , wherein the mixing of the sulfide and selenide anions yields a controllable shift in the high voltage oxidation plateau. Electrochemical measurements indicate that reversible multielectron redox occurs across the solid solution. X-ray absorption spectroscopy supports the oxidation of both iron and selenium at high states of charge, while Raman spectroscopy indicates the formation of Se–Se dimers in Li 2 FeSe 2 upon Li deintercalation, providing insight into the charge mechanism of the Li-rich iron chalcogenides. Anion substitution presents direct control over the functional properties of multielectron redox materials for next generation battery technologies.

25 ENERGY STORAGE↗

DOE OSTI2021

Overview of Nuclear Materials Discovery & Qualification initiative (NMDQi)

The Nuclear Materials Discovery and Qualification Initiative (NMDQi) is a program launched in 2020 to address the need for development of new nuclear materials on shorter timelines. The NMDQi has a goal to accelerate nuclear materials qualification to fulfill the promises of early and advanced reactor technologies as a safe, clean, and low-cost baseload energy. Materials development and qualification in the nuclear industry is by definition challenging due to stringent safety requirements, limited availability of specialized facilities for materials irradiation and testing, and the challenging high-temperature, high-radiation environment. Outside the nuclear industry, options exist for increasing the efficiency and rate of materials discovery for accelerated technology commercialization, which can also be applied for our use through the NMDQi. Focus will be on generating tools and capabilities that integrate experimental and computational techniques, allowing materials to be selected prior to fabrication, and providing crucial data to improve upon modeling.

36 MATERIALS SCIENCE↗

DOE OSTI2023

University Coalition for Fossil Fuel Energy Research

Following a nationwide open competition, the University Coalition for Fossil Energy Research (UCFER) was established in October 2015 through a cooperative agreement between Penn State and the Department of Energy (DOE) National Energy Technology Laboratory (NETL). Penn State lead UCFER with the objective of advancing basic and applied research for clean and low-carbon energy based on fossil fuels in support of the DOE’s mission. UCFER focused on research that improves the efficiency of production and use of fossil energy resources, while minimizing the environmental impacts and reducing greenhouse gas emissions. Penn State lead a team of nine universities (Massachusetts Institute of Technology, The Pennsylvania State University, Princeton University, Texas A&M University, University of Kentucky, University of Southern California, The University of Tulsa, University of Wyoming, and Virginia Polytechnic and State University) during the competition stage, adding seven more universities in 2017 (Carnegie Mellon University, Louisiana State University, The Ohio State University, University of North Dakota, University of Pittsburgh, University of Utah, and West Virginia University). This Coalition exhibited a wide geographical distribution across the U.S. bringing a wide variety of fossil energy expertise. This national university alliance was a major collaborative effort with NETL to address specific topics of R&D in NETL’s mission area, which involved one or more of NETL’s five core competencies (Geologic and Environmental Systems, Materials Engineering and Manufacturing, Energy Conversion Engineering, Systems Engineering and Analysis, and Computational Science and Engineering). The first five to six months of the project was the definitization stage. During this period, Penn State worked closely with NETL to finalize the Coalition organizational structure and By- Laws, prepare a statement of substantial involvement and a statement of project objectives, and develop operations and membership plans. A major component of this stage included preparing an execution plan to solicit research, evaluate proposals, recommend selected projects to NETL, and award projects. In addition, a plan was prepared to monitor projects, review projects, disseminate knowledge from research projects and develop an online system for Coalition research portfolio management. This included developing a website and several databases. The first of six rounds of solicitations started in mid-2016. Projects from the sixth solicitation started February 1, 2021, and ended January 31, 2023. Projects that were selected represented twelve technology lines. Approximately $16.6 million in funding was available for the six solicitations. Most of the funding was provided by DOE, Office of Fossil Energy (DOEFE) with the DOE Fuel Cells Technologies Office (DOE-FCTO) providing funding for a few projects. Coalition universities submitted 259 proposals in response to the solicitations, requesting approximately $67.0 million in funding, and forty-three projects were selected. However, one project withdrew after the principal investigator left the university. The management of the Coalition projects was a major activity by Penn State. Managing the Coalition projects consisted of monitoring the projects, reviewing the projects through annual technical review meetings, disseminating knowledge from the research projects, and developing an online system for Coalition research portfolio management. Penn State’s OMT monitored projects to ensure that all milestones (technical, schedule, budget) were met, expenditures were allowable, cost share (when applicable) were reported, and all technical reports were submitted. The OMT also posted the technical reports electronically on a secure members-only website for access and review by the Coalition members. Disseminating knowledge from the research projects was done through a website, newsletters, various meetings, conferences, journal articles, publicity/press releases, and project summaries that were prepared after each project was completed. Penn State kept NETL apprised of UCFER progress through quarterly reports (thirtyone were submitted by Penn State), verbal and written communications, yearly updates at the annual technical review meetings, and cost accrual reports. The UCFER project had a significant impacty. The UCFER program established the first national university alliance in fossil energy research with a major collaboration effort with DOE NETL that addressed specific topics in NETL’s research and development mission areas. It generated inter-university collaborations, which was another program interest. Twenty-two out of 259 proposals contained collaborations (≈8.5%) and three of forty-two funded projects involved inter-university collaborations (≈7.0%). The forty-two funded projects provided support at fourteen universities involving 269 personnel. Research was conducted by 106 faculty, 115 graduate and undergraduate students, forty-six research staff and post-doctoral scholars, and two visiting scholars. Students and post-doctoral scholars were also on-site at NETL through CRADAs. In addition, non-Coalition participants included six universities and sixteen companies and national laboratories. The non-Coalition participants were involved as subcontractors, providers of cost share, performed unpaid consultation and sample analysis, served as advisory board members, or were providers of samples and materials for testing. UCFER also produced visibility in that fifty-six refereed journal articles were published, fifty-seven conference papers and twenty-three posters were prepared, 190 presentations were given, eight patent applications were filed, two books/book chapters were written, and ten software codes were developed. Collaboration between NETL and the individual projects was a major requirement for all funded projects. This included NETL staff time to support collaboration, consultation, technical guidance, sample preparation and analysis, internships at NETL, on-site testing and equipment usage by Coalition participants at NETL, co-mentoring students, and coauthoring journal articles and conference papers. Collaboration was impacted by COVID-19 in that not all on-site activities could be performed. NETL personnel were coauthors on eight of the conference papers (fourteen percent of the conference papers that were prepared) and seventeen of the journal articles (thirty percent of the journal articles that were prepared). A website was developed for an online proposal solicitation and review process and to provide exposure to UCFER. A website analysis highlighted the large amount of member and general public interest in UCFER by interpreting access statistics from March 2016 through June 2023. Visitors to the site originated from many different organizations, businesses, and countries. The website provided a means to disseminate information to both the general public and the UCFER members and was successfully used for outreach activities. In addition, NETL required that RFP release, proposal submission, and proposal reviews all be performed online. Penn State successfully developed these capabilities in a secure section of the website, which were used throughout the UCFER project. It is recognized that each project had its technical successes. In addition, highlighted successes were compiled and summarized from the research projects. Information was requested from the PIs of completed projects. In addition, Penn State’s Operations Management Team reviewed subcontract reports to identify project successes. Examples of information requested from PIs included (not all-inclusive): new projects that have been funded as a result of UCFER funding; new commercial products; establishment of a new center; new patent; new software; best paper awards; highly-cited work; and graduate student successes. A total of forty-eight highlighted successes were reported.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2025

Hierarchical analysis of US electric vehicle subsidies for carbon emission mitigation

Electric vehicle (EV) adoptions are promoted with subsidies to reduce greenhouse gas emissions from ground transportation. In this paper, a hierarchical analysis is presented on the potential of greenhouse gas emission mitigation via the electric vehicle subsidy policy at state level in the US, through research of environmental and economic fundamentals of electric vehicle operations, energy consumptions, battery degradation and service life. It has been found that restructuring the federal subsidies to promote EV adoption can significantly reduce greenhouse gas emissions across the US. The reduction costs of greenhouse gas emissions vary between $\$1167.44$/ton in Vermont to $\$6880.13$/ton in Wyoming. A case study reveals that 15.24 % more greenhouse gas emissions can be reduced with a tiered federal subsidy structure. The restructuring of subsidies will also encourage the adoption of clean energies in the grid fuel mix and drive technological advancements to extend the battery lifetime in the future.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2023

High-efficiency purification of CH 4 and H 2 energy sources enabled by a phosphotungstic acid-supported Os single-atom catalyst

Methane (CH 4 ) and hydrogen (H 2 ) show promise as low-carbon energy sources, but their impurities, including H 2 and CO, pose challenges for storage and use. To address these challenges, a robust purification protocol for CH 4 and/or H 2 , combined with the catalytic conversion of impurities into CO 2 and H 2 O, is a compelling solution. Here, in this work, we investigated 11 phosphotungstic acid (PTA)-supported single-atom catalysts (SACs) by density functional theory (DFT) computations. Os 1 /PTA SACs exhibited superior catalytic activity, and the ease of oxidation follows the CO > H 2 > CH 4 order. It facilitated efficient purification of CH 4 in solvents such as water, MeOH, and various others. For H 2 purification, Os 1 /PTA SACs demonstrated excellent performance in gas, water, and MeOH. Notably, in water and MeOH, it selectively removed CO without consuming H 2 with low free energy barriers. The strong Os-PTA interactions and charge transfer mechanism contributed to its exceptional catalytic activity. Our findings shed light on SAC behavior and their potential for efficient CH 4 and H 2 purification. By addressing impurity challenges and improving clean energy utilization, these findings contribute to the development of sustainable energy technologies.

30 DIRECT ENERGY CONVERSION↗