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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Building High-Energy Silicon-Containing Batteries Using Off-The-Shelf Materials

The technology of silicon anodes appears to be reaching maturity, with high-energy Si cells already in pilot-scale production. However, the performance of these systems can be difficult to replicate in academic settings, making it challenging to translate research findings into solutions that can be implemented by the battery industry. Part of this difficulty arises from the lack of access to engineered Si particles and anodes, as electrode formulations and the materials themselves have become valuable intellectual property for emerging companies. Here, we summarize the efforts by Argonne’s Cell Analysis, Modeling, and Prototyping (CAMP) Facility in developing Si-based prototypes made entirely from commercially available materials. We describe the many challenges we encountered when testing high-loading electrodes (>5 mAh cm −2 ) and discuss strategies to mitigate them. With the right electrode and electrolyte design, we show that our pouch cells containing ≥ 70 wt% SiO x can achieve 600–1,000 cycles at C/3 and meet projected energy targets of 700 Wh L −1 and 350 Wh kg −1 . These results provide a practical reference for research teams seeking to advance silicon-anode development using accessible materials.

25 ENERGY STORAGE↗
DOE OSTI2024

Electrolyte Design for NMC811||SiO x -Gr Lithium-Ion Batteries with Excellent Low-Temperature and High-Rate Performance

The use of high-nickel NMC811 cathode and SiO x -Gr anode can greatly improve the overall energy densities of lithium-ion batteries. However, the unfavorable solid electrolyte interphase (SEI) layer generated from the decomposition of EC-based electrolytes lead to the poor cycling stability of NMC811||SiO x -Gr cells. Here we report an electrolyte design of 1.5 M LiPF 6 dissolved in FEC/MA/BN 2:2:6 by volume, which can form thin, robust, and homogeneous SEI layer to greatly improve the charge transfer at the electrode-electrolyte interface. Importantly, the designed electrolyte shows an outstanding low temperature performance that it can deliver a capacity of 123.3 mAh g –1 after 50 cycles at −20 °C with a current density of 0.5 C, overwhelming the standard EC-based electrolyte (1.2 M LiPF 6 EC/EMC 3:7 by volume) with a capacity of 35.7 mAh g –1 . The electrolyte also has a superior rate performance that it achieves a capacity of 122.5 mAh g −1 at a high current density of 10 C. Moreover, the LTE electrolyte holds the great potential of extreme fast-charging ability because of the large part of CC contribution in the CCCV charging model at high charging current densities.

Electrochemistry↗
DOE OSTI2026

Design-driven optimization of low-cost reagent formulations for reproducible and high-yielding cell-free gene expression

Access to recombinant proteins is vital in basic science and biotechnology research. Cell-free gene expression systems provide one approach to address this need, but widespread utilization remains limited by the cost, complexity, and inconsistency of current platforms. To address these limitations, we carry out a multi-dimensional definitive screening design to reduce the number of reagent components and remove costly secondary energy substrates. From 1,231 different reagent formulations, we discover a simple and reproducible system based on 12 components. The optimized reagent formulation can produce 2.4 ± 0.3 g/L of protein product at the 15-µL scale (~$\$60$/gprotein) and 3.7 ± 0.2 g/L (~$\$39$/gprotein) at the 4-mL scale with oxygen supplementation. This provides an average 95% reduction in cost over previous cell-free reagent formulations. We further show that the optimized reagent formulation can produce nucleoside triphosphates from nitrogenous bases and ribose and that it is robust to failure across batches of cell lysates, users/locations, and in the synthesis of more than 20 different proteins. For example, we demonstrate the production of fifteen therapeutically relevant products, including full-length aglycosylated monoclonal antibodies. We anticipate that our optimized reagent formulation will democratize the use of cell-free systems for protein manufacturing and synthetic biology applications.

Biologics↗
DOE OSTI2024

Structural and functional characterization of IgG- and non-IgG-based T-cell-engaging bispecific antibodies

Bispecific T-cell-engaging antibodies are a growing class of therapeutics with numerous molecules being tested in clinical trials and, currently, seven of them have received market approval. They are structurally complex and function as adaptors to redirect the cytotoxicity of T cells to kill tumor cells. T-cell-engaging bispecific antibodies can be generally divided into two categories: IgG/IgG-like and non-IgG-like formats. Different formats may have different intrinsic potencies and physiochemical properties, and comprehensive studies are needed to gain a better understanding of how the differences in formats impact on structural and functional characteristics. In this study, we designed and generated bispecific T-cell-engaging antibodies with IgG-like (DVD-Ig) and non-IgG (BiTE) formats. Both target the same pair of antigens (EGFR and CD3) to minimize the possible influence of targets on functional characterization. We performed a side-by-side comparison to assess differences in the physiochemical and biological properties of these two bispecific T-cell-engaging antibodies using a variety of breast and ovarian cancer cell-based functional assays to delineate the structural–functional relationships and anti-tumor activities/potency. We found that the Fc portion of T-cell-engaging bispecific antibodies can significantly impact antigen binding activity, potency, and stability in addition to eliciting different mechanisms of action that contribute the killing of cancer cells.

cluster of differentiation 3 (CD3)↗
DOE OSTI2026

Regulating in situ gaseous deposition to construct highly durable Fe–N–C oxygen-reduction fuel cell catalysts

The activity–stability trade-off challenges the design of high-performance atomically dispersed iron–nitrogen–carbon (Fe–N–C) catalysts for the acidic oxygen reduction reaction in polymer electrolyte fuel cells. Here we develop an in situ chemical vapour deposition approach during catalyst synthesis to break the trade-off, producing highly stable Fe–N–C catalysts while maintaining adequate oxygen reduction reaction activity. The optimal catalyst exhibits a half-wave potential of 0.867 V, remaining unchanged after an accelerated stress test (AST) of 100,000 potential cycles in rotating disk electrode tests. In membrane electrode assemblies under H 2 –air conditions, it delivers 93 mA cm −2 at 0.8 V after a standard AST of 30,000 voltage cycles, and shows minimal current density losses (2.9% at 0.6 V; 14.2% at 0.7 V) after an extended AST up to 120,000 cycles. Furthermore, the catalyst’s durability improvement is primarily due to the in situ chemical vapour deposition, which strengthens Fe–N bonds, increases active-site density, mitigates iron aggregates and reduces surface porosity.

Chemical engineering↗
DOE OSTI2024

Variation Tolerant and Energy-Efficient Charge Domain Compute-in-Memory Array with Binary and Multi-Level Cell Ferroelectric FET

Here, in this work, we present a variation-tolerant and energy-efficient charge-domain Ferroelectric FET (FeFET) based Compute-in-Memory (CiM) array design that is compatible with both binary and multi-level cell memory sensing. We demonstrate that: 1) by exploiting FeFET as a nonvolatile switch, its high ON/OFF ratio in the subthreshold region can suppress the error introduced by the inaccurate ON state conductance, thus realizing robust CiM operations, unlike the current-domain CiM design where the computation results is highly sensitive to the device conductance variation; 2) by leveraging a dense dynamic random access memory (DRAM)-like 1FeFET1C cell structure, the proposed design benefits from the existing high density DRAM establishment while also significantly relaxing the capacitor retention and transistor leakage requirement; 3) the charge-domain CiM supports both binary FeFET with minimum overhead and MLC FeFET with tolerable latency for MLC state sensing, whose efficacy is validated experimentally on both cell-level and array-level; 4) the proposed CiM shows much better device variation resilience than conventional current-domain CiM, and also improves inference accuracy. Macro-level evaluation results demonstrate significantly higher energy efficiency and area efficiency compared to prior CiM works.

Duan, Jiahui [University of Notre Dame, IN (United↗
DOE OSTI2025

Conformally coated scaffold design using water-tolerant Pr 1.8 Ba 0.2 NiO 4.1 for protonic ceramic electrochemical cells with 5,000-h electrolysis stability

Protonic ceramic electrochemical cells (PCECs) have potential as long-duration energy storage systems. However, their operational stability is limited under industrially relevant conditions due to the intrinsic chemical instability of doped barium cerate-based electrolytes and oxygen electrodes against H 2 O, as well as the poor electrode–electrolyte interfacial contact. Here, in this study, we present a conformally coated scaffold (CCS) design to comprehensively address these issues. A porous proton-conducting scaffold is constructed and conformally coated with Pr 1.8 Ba 0.2 NiO 4.1 electrocatalyst, which has high chemical stability against H 2 O, triple conductivity and hydration capability, and protects vulnerable electrolytes from H 2 O. The CCS structure consolidates the electrode–electrolyte interfacial bonding to enable fast proton transfer in the percolated network. This design enables PCECs to reach electrolysis stability for 5,000 h at −1.5 A cm−2 and 600 °C in 40% H 2 O. This work provides a general strategy to stabilize PCECs and offers guidance for designing resilient and stable solid-state energy storage systems.

Protonic ceramic electrochemical cell↗
DOE OSTI2026

Programmed synthesis of mesoporous protein crystals in cellular reactors

Protein crystals are naturally derived mesoporous materials with versatile structures and physicochemical properties. Here we introduce an intracellular synthesis platform that enables controllable and programmable protein crystallization. In live cells, we show that, after initial nucleation, steady protein expression governs crystal growth, yielding predictable, tunable dynamics in live cells. Exploiting this feature, we combined HaloTag and click chemistries to achieve modular, programmable immobilization of diverse guest materials with spatial patterning down to ~100 nm resolution. We further demonstrated the sequential release of immobilized materials in physiologically relevant fluids. As a proof of concept, we programmed particles to carry human fibroblast growth factors in distinct layers, which elicited designed oscillatory Akt signalling patterns in cell culture. Finally, this work outlines a programmable method for producing mesoporous materials, with possible applications in catalysis and biomedicine.

Yang, Hongru [Johns Hopkins Univ., Baltimore, MD (↗
DOE OSTI2025

Minimizing Energy Loss by Designing Multifunctional Solid Additives to Independent Regulation of Donor and Acceptor Layers for Efficient LBL Polymer Solar Cells

Solid additives are crucial in layer-by-layer (LBL) polymer solar cells (PSCs). Despite its importance, the simultaneous application of solid additives into both donor and acceptor layers has been largely overlooked. In this work, two multifunctional solid additives are actively designed, and investigated the synergistic effect on both donor and acceptor layers. Incorporating the multifunctional solid additives into the donor layer could effectively enhance the aggregation and molecular stacking of the donor polymer, leading to reduced energy disorder and minimizing ΔE 2 . When the multifunctional solid additives are introduced into the acceptor layer, they just play a role in optimizing the morphology, thereby reducing the ΔE 3 . Excitedly, the simultaneous addition of the multifunctional solid additives into both donor and acceptor layers produced a synergistic effect for decreasing ΔE 2 and ΔE 3 simultaneously, especially adding SA2, thus enabling an excellent power conversion efficiency (PCE) of 19.95% (certified as 19.68%) with an open-circuit voltage (V oc ) of 0.921 V, a short circuit current density (J sc ) of 27.08 mA cm -2 and a fill factor (FF) of 79.98%. The work highlights the potential of multifunctional solid additives in independently regulating the properties of donor and acceptor layers, which is expected as a promising approach for further developing higher performance PSCs.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Innovative Advanced Hydrogen Mobile Fueler (Final Technical Report)

The US Department of Energy (DOE) funded a project to design, develop, deploy and analyze the economic viability of an innovative Advanced Hydrogen Mobile Fueler (AHMF). As part of the design activity the project team defined specifications based upon vehicle requirements and compliance with specific fueling performance criteria. The AHMF was originally designed to fuel 10-20 fuel cell vehicles (FCV) per day, consistent with the requirements of the H70 fueling category. The AHMF is able to operate without remote power connections, is modular for easy transport and deployment, and can provide expanded daily capacity and multi-day operations using delivered gaseous hydrogen. Toward the end of the project, due to request from the hydrogen industry and some necessary modifications of the AHMF, the system is now modified to fuel heavy duty vehicles. The project was conducted over two primary phases, each including several key tasks, subtasks, and project milestones. Phase 1 involved the design, development, and construction of the AHMF, moving from a conceptual design through to completion of assembly and testing. In addition to reviewing several different approaches, the team chose to take a conventional station design and modify it for mobile fueling. There were several innovative components included in the design. The high pressure storage was the first to achieve a US Department of Energy (DOE) Special Permit (SP 20391) to transport high pressure hydrogen (95 MPa) in a composite cylinder. The second novel system was a liquid nitrogen (LIN) cooling system with a compact heat exchanger. Without this change, the cooling system would not be able to fit into the AHMF. Phase 2 demonstrated the AHMF by fueling fuel cell buses at a fleet in Pomona, CA. The site was chosen because a temporary fueling solution was required while a fixed station was being installed. The existing permits for the fixed station and non-public access also was a determining factor. Over two months, the buses were fueled 320 times with over 5000 kg of hydrogen from tube trailers. Existing shore power was used, and the average electrical efficiency was 0.13 kWh/kg. The average liquid nitrogen (LIN) consumption was 90.68 scf/kg. The fueling and consumption data was provided to the National Renewable Energy Laboratory (NREL) for analysis. An economic analysis was performed and will be provided in a separate report. The project was successful, but not without challenges and lessons learned. The DOT special permit led the way for the use of high pressure, composite cylinders and is being by multiple other systems and applications. The pandemic along with time for the DOT special permit approval delayed the project for years. The team also believes that hydrogen mobile fueling has a use for the industry, especially during this upcoming phase of expansion. However, it does have its limitations due to high cost to build and operate, and the same permitting challenges as a fixed station. A fully capable system at the speeds and pressures of the AHMF may not be necessary for most applications and would help reduce the cost and increase storage capacity. The on-board generator can be easily replaced with shore power or the wide range of power generation solutions in the marketplace. One of the major results of the project was the development of new code language in National Fire Protection Agency (NFPA) 2 and the International Fire Code (IFC) for on-demand mobile fueling. This will provide guidance for Authorities Having Jurisdiction (AHJ) and user on how to permit temporary fueling sites across the nation.

08 HYDROGEN↗
DOE OSTI2026

Tandem Photovoltaics Core Program Final Technical Report

The Tandem Photovoltaics Core Program was a multi-year initiative aimed at advancing hybrid tandem solar cell technologies to enhance solar module efficiency beyond the limits of single junction devices. This project focused on the development, testing, and scaling of prototype photovoltaic devices, with the goal of achieving commercial relevance and driving industry adoption. The work was divided into three tasks: 1) Comparative Analysis of Tandem Technologies: This task focused on quantifying energy yield under real-world conditions and assessing economic viability of tandems relative to silicon-based modules. The project's modeling framework incorporated performance data, cost of materials, and manufacturing process impacts to optimize tandem designs 2) Tandem Integration and Prototyping: In this task, we developed innovative tandem designs by combining metal halide perovskite (MHP) top cells and silicon (Si) bottom cells. The project focuses on both mechanical integration and direct deposition techniques to enable compatibility with commercially relevant Si technologies, such as passivated contact or PERC cells. 3) Scale-up and Reliability: This task addressed the challenges of large-area fabrication by developing scalable deposition methods and robust interconnection schemes for tandems. The project looked at different accelerated testing such as thermal cycling, damp heat exposure, and potential induced degradation, to ensure long-term stability of devices in field conditions. Tandem solar cells can greatly increase module efficiency beyond conventional single junction (SJ) devices, which are approaching their theoretical limit. There are many ways to fabricate a tandem cell or module in terms of materials used, configuration, and terminal connection. This SETO core project focused critical factors in enabling tandems to enter the market, including hardware integration, technoeconomic analysis (TEA), and energy yield analysis. We focused on MHP/Si hybrid tandem solar cells and modules as a model system for their versatility in module design comparisons, providing valuable insights for other tandem options. While champion cells with areas <1cm2 are regularly demonstrated by groups around the world, it is significantly more challenging to translate these advances into modules, and fewer institutions and companies are working at the module level. This project addressed questions about module fabrication, testing, and reliability that are hard to answer without actually fabricating prototypes. We also performed analysis and road-mapping activities to understand the potential for a wider variety of tandems, including all-perovskite tandems fabricated in collaboration with the Perovskite PV core program. Detailed technical results from this project are described for each task in Section 7.

14 SOLAR ENERGY↗
DOE OSTI2025

Photovoltaic Mini-Module Soiling Stations: Cooperative Research and Development (Final Report)

Photovoltaic (PV) panels can become soiled due to a variety of environmental factors. This soiling reduces the amount of light reaching the cells and thus their energy output. The ratio of actual output of the soiled device that of a clean device is known as the soiling ratio. The daily change in soiling ratio is known as the soiling rate. To study soiling for different glass coatings. Two soiling stations were fabricated. The stations were designed to monitor the short-circuit current of PV cells encapsulated with glass featuring different coatings and measure the daily soiling ratio with a pair of reference cells, one of which is automatically brushed daily. This work meets the need to understand how the glass coatings perform in additional environments. The stations are designed to quantify both the soiling ratio (the ratio between actual/expected photovoltaic panel power output) as well as differences in anti-soiling performance of different glass coatings. The design of the dirty/clean reference cell system is described by Toth et al. The soiling ratio is calculated by calculating the average irradiance measured within one hour of solar noon by each of the reference cells and then taking the ratio of these daily near-noon averages. The soiling ratio time series for the station deployed in Georgia is shown in Figure 1. This figure shows that the soiling ratio at the site has not yet fallen below 0.99, indicating that peak daily soiling losses have been below 1%. The site was chosen because it is thought to be affected by pollen soiling. With continued monitoring over the course of at least a full year, we expect to be able to observe and quantify pollen soiling events.

14 SOLAR ENERGY↗
DOE OSTI2025

The ETROC2 as the Final Version for CMS Endcap Timing Layer (ETL) Upgrade

The ETROC (Endcap Timing Readout Chip) is being developed for the LGAD-based CMS Endcap Timing Layer (ETL) at HL-LHC. The ETL on each side of the interaction region will be instrumented with a two-disk system of MIP-sensitive LGAD (Low Gain Avalanche Diodes) silicon devices, read out by ETROCs for precision timing measurement with down to ~30 ps timing resolution per track. The ETROC is designed to handle a 16 x 16 pixel cell matrix, with each pixel being 1.3 mm x 1.3 mm to match the LGAD sensor pixel size. The front-end design for preamplifier and discriminator has been specifically optimized for the reduced LGAD signals, with enough flexibilities to meet the ETL specific needs for time resolution, power budget and radiation profile. The ETROC chip is implemented in a commercial 65nm CMOS process. Each channel consists of a preamplifier, a discriminator, a TDC used for TOA (Time Of Arrival) and TOT (Time Over Threshold) measurements, and a memory for data storage and readout. An in-pixel auto threshold calibration is included, along with a self-testing pattern generator. The TOT is used for time-walk correction of the TOA measurement. The detailed hit information (TOA and TOT) from each cell will be read out from a local circular buffer after each Level-1 Accept (about 1 MHz). In addition, a charge injection circuit is implemented to allow for testing and calibration. For more detailed monitoring of the signal pulses, waveform sampling circuits are included for one pixel. The clock distribution is based on a 16x16 H-tree design with a shielding structure to alleviate potential interference. The global peripheral circuits include a PLL, a phase shifter, an I2C slave controller, a fast control block, a global readout, and a data driver along with an efuse and temperature sensor. The ETROC builds event data frames for each L1A selected event and is also capable of providing L1 trigger information for user-defined delayed hits. The main design challenge is how to extract precision timing information from the small LGAD signals in the presence of high irradiation fluence, while keeping the power consumption and digital activity low. The ETL design goal for the time resolution of 50 ps per hit is required to achieve a 35 ps arrival time measurement for a MIP particle, which has its track registered in two ETL disk layers. The LGAD contribution is known to be about 30 ps, this means that the jitter from the ETROC has to be kept below 40 ps. The ETROC2 is the first full size full functionality prototype design fully compatible with the final chip specifications for CMS ETL and now becomes the final version. The ETROC2 chips have been extensively tested. We will present here new testing results including the bump bonding yield improvement study, the time walk correction (TWC) generality study with one pixel TWC applying to all pixels, the final SEU testing using both heavy ion and proton beam, more beam test studies including different sensors, and readiness for the ETROC2 production for CMS ETL upgrade.

Liu, Tiehui [Fermilab] (ORCID:0009000765225605)↗
DOE OSTI2025

Light-Modulated Self-Assembly of Synthetic Nanotubes

Artificial biomolecular polymers with the capacity to respond to stimuli are emerging as a key component to the development of living materials and synthetic cells. Here, in this work, we demonstrate artificial DNA tubular nanostructures that form in response to light in a dose-dependent manner. These nanotubes assemble from programmable DNA tile motifs that are engineered to include a UV-responsive domain so that UV irradiation activates nanotube self-assembly. We demonstrate that the nanotube formation speed can be tuned by adjusting the UV dose. We then couple the light-dependent activation of tiles with RNA transcription, making it possible to control nanotube formation via concurrent physical and biochemical stimuli. Finally, we illustrate how UV activation effectively controls nanotube assembly in confinement as a rudimentary stimulus-responsive cytoskeletal system that can achieve various conformations in a minimal synthetic cell. This study contributes new tile designs that are immediately useful to building biomolecular scaffolds with controllable dynamics in response to multiple stimuli.

DNA nanotechnology↗
DOE OSTI2025

Strategies for fabricating aligned nano- and microfiber scaffolds: an overview for cell culture applications

The rapidly growing demand for cell manufacturing and in vitro tissue fabrication has led to the development of various technologies for biomimetic artificial extracellular matrix (ECM), including three major materials: hydrogels, fibrous scaffolds, and decellularized tissues. The latter two materials are closer to the biomimetic goal of replicating natural ECM. The scalability of the scaffolds made of decellularized tissues is limited. The development of 3D fibrous ECM is at the initial stage owing to the recent advantages of novel nanofiber spinning technologies. These novel technologies brought about simultaneous control over a range of critical characteristics, such as fiber diameter, length, material, draw ratio, spacing, and alignment into well-controlled 3D constructs. There is still a long way to go in designing 3D fibrous scaffolds based on cell response studies. The primary objective of this review is to provide an analysis of the recent progress in novel nano- and microfiber spinning methods and uncover their potential for precise fiber alignment into 3D structures.

Peranidze, Kristina [University of Georgia, Athens↗
DOE OSTI2026

Beam Performance of the Positron Transport Line for CEBAF Positron Upgrade

The Low Energy Recirculator Facility (LERF) at Jefferson Lab, formerly operated for the Free-Electron Laser program, has been proposed as the injector complex for the planned 12 GeV CEBAF positron upgrade (Ce+BAF), with an additional pathway to support a potential 22 GeV CEBAF electron upgrade. In this configuration, LERF would generate and pre-accelerate positrons to 123 MeV, matching the present injection energy into the North Linac. Due to the relatively large emittance expected from the positron source, a comprehensive acceptance study has been performed from LERF through the CEBAF recirculating linacs and beam transport lines to the experimental halls. The objective is to establish the positron phase-space acceptance and provide design feedback to the positron production and capture systems. Furthermore, given CEBAF’s capability to deliver highly polarized beams, spin-tracking simulations have been carried out including magnet imperfections, alignment errors, and synchrotron-radiation–induced energy spread. Particular attention is given to the evolution of the spin tune and the corresponding depolarization mechanisms along the beam delivery path, especially for providing longitudinal polarization at the experimental halls. These results inform injector design choices and assess the overall feasibility of delivering high-polarization positron beams in CEBAF.

Ogur, S. [Thomas Jefferson National Accelerator Fa↗
DOE OSTI2025

2025 Intern Poster

The Hot Fuel Examination Facility (HFEF) at the Materials and Fuels Complex (MFC) houses the largest U.S. inert atmosphere hot cell for nuclear material research. Key features include the precision gamma scanning (PGS), Fuel Accident Condition Simulator (FACS), Neutron Radiography Reactor (NRAD), and the focus of this project, the Metallograph Loading Cell (MET Cell). The MET Cell performs tests on spent nuclear fuel, such as microhardness testing, microscopy, and neutron radiography. However, the MET Cell’s existing pressure and lighting control systems are outdated and inefficient, with inadequate documentation for system changes over time. This project aims to design a new automated control system for the MET Cell, ensuring longevity (minimum ten years), ease of troubleshooting/repair, and integration into the building monitoring system. The design process addressed challenges such as space restrictions, varied voltages within enclosures, sourcing new components, and security limitations. Compliance with NFPA 70, UL508A, MFC Physical Security, and INL Engineering standards was essential. The project involves repurposing an existing PLC to manage lighting and pressure control using digital and analog signals, simplifying wiring, and ensuring thorough documentation for future reference.

42 - ENGINEERING↗
DOE OSTI2024

Advancing Insights into Electrochemical Pre‐Treatments of Supported Nanoparticle Electrocatalysts by Combining a Design of Experiments Strategy with In Situ Characterization

Activation, break-in, and/or pre-treatment protocols are generally applied to energy conversion devices before regular operation to reach stable performance. There remains much to understand about the relationships among physical properties, performance, and electrochemical pre-treatments. Here, a design-of-experiments (DoE) strategy is employed to address this gap by demonstrating the influence of five pre-treatment parameters for carbon-supported Pt-nanoparticle catalysts on the electrocatalytic oxygen reduction reaction (ORR). A subset of pre-treatments, developed using a central composite design, are tested in a flow cell combined with an inductively-coupled plasma mass spectrometer (on-line ICP-MS). The DoE-based approach facilitates comprehensive insights from two orders of magnitude fewer experiments than a conventional grid search. The coupled on-line ICP-MS setup enables effective catalysis and real-time catalyst dissolution data. Leveraging insights from DoE for on-line ICP-MS and additional characterization, a model is built between the degradation of a multi-dimensional supported Pt surface, its performance, and applied electrochemical parameters. These investigations identify surface modifications, such as oxidation, and subsequent restructuring of Pt during pre-treatment as a primary cause of performance deterioration during ORR. By combining DoE with advanced characterization techniques, a powerful approach is demonstrated to gain a mechanistic understanding of pre-treatment protocols that can be broadly adapted to various reaction chemistries.

Platinum↗