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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Transport Analysis & Optimization in a MW-Scale CO2 Electrolyzer (Final Report)

As Twelve continues to scale up their CO2 electrolyzers, both in the size of a single cell and in the number of cells used in a stack, thermal management becomes a growing concern, since excess heat can affect reaction yield and accelerate degradation. In this project, we aim to computationally explore how the anode flow fields used in Twelve’s CO2 electrolyzers function as heat exchangers. In particular, using a homogenized model of a CO2 electrolyzer, we first estimate the amount of heat generated in a cell. Then, we develop a computational fluid dynamics (CFD) model of the so-called “flow field”, i.e. a flow manifold, based on Twelve’s CAD drawings, to evaluate how these flow fields perform as a heat exchanger for the generated heat. We explore both a single cell and a 3-cell stack operating in parallel, where heat generated in one cell can now be transferred to another cell. We evaluate how performance is affected when environmental heat losses are taken into account. Finally, we leverage topology optimization to explore the types of design features a computational optimization algorithm would suggest to supplement our intuition. Overall, our work aims to provide design recommendations for CO2 electrolyzer flow fields and provides a foundation for future studies of flow field optimization.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2026

Enabling Stable and Salt-Free Formic Acid Production via Reactive Interface Optimization in Forward-Bias Bipolar-Membrane CO2 Electrolyzers

Electrochemical conversion of CO2 to liquid products is limited by parasitic reactions that consume products and destabilize operation. Here, we show that salt-free formic acid synthesis in a forward-bias bipolar-membrane CO2 electrolyzer is governed by a coupled reaction-transport instability driven by parasitic anode formic acid oxidation. Operando mass spectrometry reveals that this process proceeds through CO-mediated poisoning, identifying catalyst tolerance to CO as a key descriptor of anode selectivity. Among the catalysts examined, PtRu/C preferentially promotes hydrogen oxidation over formic acid oxidation. Coupling this catalyst with transport-interface engineering improves product removal, enhances Faradaic and energy efficiency, and enables stable operation at 200 mA/cm2 for 190 h with a voltage decay of 0.64 mV/h. Techno-economic analysis indicates an 18% reduction in minimum selling price and highlights product concentration as the dominant cost lever. These results establish a general framework for suppressing product oxidation in liquid-product electrolyzers.

Hu, Leiming↗
DOE OSTI2021

CO2 Electrolyzer to Produce Formic Acid at Industry Relevant Current Density

Electrochemical CO2 reduction reaction (CO2RR) to produce formic acid has attracted great interest recently since formic acid can be used as a feedstock for biorefineries. Over the past decade, much effort has been devoted to the prospects of electrochemical CO2 conversion to formic acid. However, issues including low current density, low selectivity, low energy efficiency, poor long-term stability, and production of formate salts instead of formic acid remain as the great challenges for the development and commercialization of this technology. Recently, Dioxide Materials (DM) has developed an electrolyzer technology that can directly convert CO2 to pure formic acid with a three-compartment CO2 electrolyzer. In this work, DM will present our recent effort on improving the electrolyzer performance operating at industry relevant current density (200 mA/cm2). We have demonstrated 200 mA/cm² with 80% Faradaic efficiency for 1000 hours of operation. The effects of CO2 concentration and impurities in the flue gas on the electrolyzer performance will be discussed, as will ongoing efforts to test the device at a coal fired power plant. The long-term (1000 h) performance of the electrolyzer will also be presented.

Yang, Hongzhou↗
DOE OSTI2021

CO2 Electrolyzer to Produce Formic Acid Using Flue Gas at Industry Relevant Current Density

The electrochemical conversion of carbon dioxide (CO2) into valuable fuels and feedstocks has gained great attention recently due to the global urgency to mitigate the rapid climate change. A wide variety of chemicals can be obtained through the electrochemical CO2 reduction reaction (CO2RR). Among all the chemicals generated through CO2RR, formic acid has attracted great interest because of its wide applications in silage preservation in agriculture, as an antibacterial agent in animal food additives, as a chemical additive in leather and tanning processing, as a chemical component in textile dyeing and finishing, as a reagent in pharmaceutical and chemical synthesis, and as deicing agents and a component in drilling fluids. Recently, the use of formic acid as a feedstock for biorefineries has also attracted increasing interest.

Yang, Hongzhou↗
DOE OSTI2026

CO2 Handling & Electrolyzer Efficiency Scaling Evaluator

CHEESE is an interactive dashboard tool for estimating the performance and material requirements of carbon dioxide electrolysis systems. It helps users evaluate how electrode area, current density, product selectivity, gas flow, cell voltage, and the number of cells in a stack affect system operation. The dashboard provides simple and advanced modes so it can be used for both quick estimates and more detailed engineering analysis. Users can estimate product output, carbon dioxide use, electrical power, electrode area, gas and liquid flow rates, energy efficiency, material cost per test, and the effect of scaling from a single cell to a multi cell stack. It also includes tools for examining carbon balance, equipment durability, component replacement, and changes in performance over time. This is intended to help both academia and industry researchers who are either getting into CO2 electrolysis on lab-scale or are trying to establish a larger footprint. CHEESE presents results through tables, charts, and simplified cell and stack diagrams. It is intended to support research planning, experimental design, comparison of operating conditions, and early stage scale up studies.

Prajapati, Aditya [Lawrence Livermore National Lab↗
NASA NTRS1980

Fractional capacity electrolyzer development for CO2 and H2O electrolysis

The electrolyzer module was designed to produce 0.24 kg/d (0.53 lb/d) of breathable oxygen from the electrolysis of metabolic carbon dioxide and water vapor. The fractional capacity electrolyzer module is constructed from three electrochemical tube cells and contains only three critical seals. The module design illustrated an 84 percent reduction in the total number of seals for a one person capacity oxygen generating system based on the solid electrolyte carbon dioxide and water vapor electrolysis concept. The electrolyzer module was successfully endurance tested for 71 days.

Wynveen, R. A.↗
DOE OSTI2023

Tuning Alkaline Anion Exchange Membranes through Crosslinking: A Review of Synthetic Strategies and Property Relationships

Alkaline anion exchange membranes (AAEMs) are an enabling component for next-generation electrochemical devices, including alkaline fuel cells, water and CO2 electrolyzers, and flow batteries. While commercial systems, notably fuel cells, have traditionally relied on proton-exchange membranes, hydroxide-ion conducting AAEMs hold promise as a method to reduce cost-per-device by enabling the use of non-platinum group electrodes and cell components. AAEMs have undergone significant material development over the past two decades; however, challenges remain in the areas of durability, water management, high temperature performance, and selectivity. In this review, we survey crosslinking as a tool capable of tuning AAEM properties. While crosslinking implementations vary, they generally result in reduced water uptake and increased transport selectivity and alkaline stability. We survey synthetic methodologies for incorporating crosslinks during AAEM fabrication and highlight necessary precautions for each approach.

08 HYDROGEN↗
DOE OSTI2023

Precisely doping the surface of tin-based electrocatalysts for improved CO 2 conversion to liquid chemicals

Doping tin catalysts with sulfur can improve the electrochemical CO 2 conversion into formate/formic acid, but the lack of composition-dependent activity trends hinders further catalyst development. Here, we precisely controlled the composition of sulfur-doped Sn catalysts to show that sulfur doping only improves CO 2 conversion over a very narrow composition range, achieving maximum activity at 1.4 at% S. In situ Raman spectroscopy indicted working catalysts were in a primarily metallic state (e.g. S-Sn), and we achieved some of the highest reported partial current densities in both H-cell and full-cell electrolyzer configurations. Density Functional Theory calculations predicted S atoms preferentially occupied the catalyst surface and improved CO 2 reduction by localizing charge density at the catalyst/intermediate interface, which stabilized the *OCOH intermediate and lowered the CO 2 conversion thermodynamic barrier. Our work quantifies the composition-dependent influence of S dopants on Sn-based CO 2 reduction catalysts and provides a pathway for maximizing their CO 2 conversion activity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Anolyte Enhances Catalyst Utilization and Ion Transport Inside a CO 2 Electrolyzer Cathode

Electrochemical CO 2 reduction is a promising technology to capture and convert CO 2 to valuable chemicals. High Faradaic efficiencies of CO 2 reduction products are achieved with zero-gap alkaline CO 2 electrolyzers with a supporting electrolyte at the anode (anolyte). Herein, we investigate the effect of anolyte on the electrode properties such as catalyst utilization, ionic accessibility etc. of a CO 2 reduction cathode using electrochemical techniques and cell configurations that avoid the complexities related to co-electrolysis. Using 1M KOH as the anolyte and a Cu gas-diffusion-electrode with low Nafion content as the model CO 2 reduction electrode, we find that electrode capacitance (proxy for electrochemically active surface area) and ionic conductivity inside the cathode increase approximately 4 and 447 times, respectively, in presence of KOH. Liquid anolyte wets the electrode’s pore structure more efficiently than capillary condensation of feed water vapor. The ionomer coverage is very low, and its distribution inside the electrode is highly fragmented. Surface ion conduction mechanisms inside the electrode are orders of magnitude lower than the bulk ion conduction in presence of anolyte. This study shows that when an anolyte (e.g., KOH) is used, catalyst utilization and ionic accessibility inside the electrode increase significantly.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2025

Cation Crossover Limits Accessible Current Densities for Zero-Gap Alkaline CO2 Reduction to Ethylene

Traditional CO2 reduction systems often fail in an alkaline environment due to the interaction of CO2 with a high-pH electrolyte, where carbonate and bicarbonate ion formation results in potassium-containing salt precipitation. The presence of the salt crystals causes a reduction in the selectivity of the electrolyzer toward CO2 conversion. Here, the critical operational variables, which elicit the salting out process, are investigated (i.e., ion transport). When the electrolyzer exceeds a critical current density, H2 evolution dominates CO2 reduction due to salt formation, which is confirmed by postmortem cross-sectional SEM-EDS of the electrode. The critical current density decreases with an increasing membrane thickness or anolyte ionic strength. Cathode salt formation is mediated by the unmitigated crossover of cations from the anolyte to the cathode across an anion exchange membrane, through which cations are imperfectly excluded. It is likely that electric field-driven migration promotes an increase in concentration of potassium across the membrane, until, at the critical current density for that electrolyzer arrangement, the concentration of potassium and bicarbonate ions exceeds the solubility limit of KHCO3, leading to salt precipitation.

CO2 reduction↗
DOE OSTI2024

Narrowing lab–to–market gaps: Device innovations in fuel generation, solar–cell, and photodetection

Academic translational research efforts to industry are often an underlying sought–after goal among various researchers. Through the interchanges of research endeavors between academia–industry, great innovations can/has been achieved that cater to the real–world application by bridging “industrially relevant” problem solving with pursuing fundamental studies. It is pertinent that most of the studies from university–level research works may not translate into demonstrable market products due to various reasons. Funding support, individual researcher goals, socioeconomic factors, and most importantly the technical know–how of generating revenue strategies for startups, are a few of the factors that have slowed the pace of collaborative efforts. However, we believe that the most crucial component is the identification of the critical parameters that solve long–standing problems that hinder the scale–up of the lab scale research into marketable products considering the techno–economic analysis. Here, to illustrate this, we take the three most relevant examples of devices for fuel generation, devices to utilize solar radiation, and devices for detection and other related applications. In this perspective, we provide an in–depth case study of each of these critical parameters to comment on the direction of research avenues that can serve as step–stones for the commercialization of university–level lab research studies.

42 ENGINEERING↗
DOE OSTI2026

Multi-Scale Modeling and Prototype Development for Electrochemical CO2 Reduction (CRADA Final Report)

In this CRADA project, Lawrence Livermore National Laboratory, Stanford University, SLAC National Laboratory, and TotalEnergies collaboratively executed a multidisciplinary investigation of electrochemical reduction of CO2 to produce sustainable fuels and chemicals. Overall, the project led to an increased understanding of the fundamental processes involved in CO2 electrolysis, from the atomistic scale to the full electrolyzer device scale, ultimately leading to design guidelines for CO2 electrolyzers that will help in their future commercialization. As the model systems, Ag- and Cu-based catalysts were investigated in various forms depending on the electrochemical platform that was utilized to study the activity, selectivity, and durability towards electrochemical CO2 reduction. By employing experimental, theoretical, and computational techniques, the project team experimentally validated multi-physics models, evaluated the experimental levers that lead to increased electrolyzer reaction selectivity and energy efficiency, and used computational optimization to design higher performance electrodes. The learnings of this project were extensively documented in publicly available peer-reviewed journal publications and conference presentations, which serve as a foundation for further work to build from.

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

Understanding Selectivity Control in the Electrocatalytic Reduction of CO2 to Liquid Products in Gas-Fed Electrolyzers

The room-temperature electrochemical reduction of carbon dioxide to liquid products is a soaring carbon utilization technology with an energy and environmental impact, offering a pathway to convert renewable energy into valuable C1 (e.g., formic acid) and C2+ products (e.g., ethanol and n-propanol)1. Gas-fed flow electrolyzers, in which a gas diffusion layer is used to transport gaseous CO2 into the electrode, have emerged as promising electrocatalytic reactors for large-scale applications, reaching competitive production costs for carbon monoxide (CO) and formic acid (HCOOH). Despite their increased use in recent years, several factors governing their performance have yet to be understood.

Berch, John El↗
NASA NTRS2009

Gadolinia-Doped Ceria Cathodes for Electrolysis of CO2

Gadolinia-doped ceria, or GDC, (Gd(0.4)Ce(0.6)O(2-delta), where the value of delta in this material varies, depending on the temperature and oxygen concentration in the atmosphere in which it is being used) has shown promise as a cathode material for high-temperature electrolysis of carbon dioxide in solid oxide electrolysis cells. The polarization resistance of a GDC electrode is significantly less than that of an otherwise equivalent electrode made of any of several other materials that are now in use or under consideration for use as cathodes for reduction of carbon dioxide. In addition, GDC shows no sign of deterioration under typical temperature and gas-mixture operating conditions of a high-temperature electrolyzer. Electrolysis of CO2 is of interest to NASA as a way of generating O2 from the CO2 in the Martian atmosphere. On Earth, a combination of electrolysis of CO2 and electrolysis of H2O might prove useful as a means of generating synthesis gas (syngas) from the exhaust gas of a coal- or natural-gas-fired power plant, thereby reducing the emission of CO2 into the atmosphere. The syngas a mixture of CO and H2 could be used as a raw material in the manufacture, via the Fisher-Tropsch process, of synthetic fuels, lubrication oils, and other hydrocarbon prod

Adler, Stuart B.↗