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At least 37 records · Page 2

Use of a segmented cell for the combinatorial development of platinum group metal-free electrodes for polymer electrolyte fuel cells

The development of novel platinum group metal (PGM)-free catalysts is a difficult task, particularly when coupled with the integration into a cathode catalyst layer (CCL). The optimization of such PGM-free electrode structures is often non-linear and iterative, making it a demanding task due to the high number of parameters that affect performance. To accelerate both materials discovery and electrode development, this work demonstrates the application of a high-resolution segmented cell (SC) with 121 segments of 0.413 cm 2 size for combinatorial high-throughput PGM-free catalyst screening and CCL optimization. The approach utilizes three flow-field strips with active areas of 4.45 cm 2 each, distributed over 11 segments. Electrodes with identical catalyst material and fabrication method result in reproducible data with typically less than 10% variation between each segment and match in performance with differential single cell data. High throughput testing of combinatorial sample sets, with varied PGM-free electrocatalyst materials or electrode composition, demonstrated the ability to rapidly discern high performing outliers, and establish or confirm trends in electrode optimization. The results indicated significant performance benefits of electrodes with ionomer content of 45 wt% over lower values, and of water rich inks with 82% water content over those with 50%.

30 DIRECT ENERGY CONVERSION↗

Impact of a Novel Nickel-Based Catalyst and Phenyl-Acrylate-Based Anion-Exchange Membrane in a Direct Urea Fuel Cell

Developing target-specific catalysts and anion-exchange membranes (AEMs) is crucial for direct urea fuel cell (DUFC) performance. To advance the DUFC system, we developed an anode catalyst with a nickel–iron oxyhydroxide/carbon (NiFeOOH/C) nanofibrous structure for the urea oxidation reaction (UOR), where we optimized the Ni/Fe molar ratio as 6:4. The enhanced electrocatalytic activity of the anode (Ni 6 Fe 4 OOH/C) is attributed to the hydroxide group, which responds with urea molecules to enhance the UOR in a pH-neutral system. Here, we employed a recently developed cross-linked phenyl-acrylate-based AEM (PA/M). A DUFC prepared with the anode and PA/M generates a maximum power density of 11.1 mW/cm 2 and 0.92 V open-circuit voltage under 3 M urea as fuel at 25 °C. We further analyzed the applicability of PA/M in a DUFC system by measuring the urea partition coefficients and permeabilities over a range of concentrations.

10 SYNTHETIC FUELS↗

3D Printed Carbon Aerogels for Polymer-Electrolyte Fuel Cells

Carbon aerogels (CA) are known for ultra-low density, very high surface area, fine porous structure, and excellent electrical conductivity. Recent advances in high resolution 3D printing at LLNL enable the manufacturing of complex structured CA electrodes which have been demonstrated in electrolysis, flow battery, and supercapacitor applications. Polymer-electrolyte fuel cells (PEFC) may be an excellent candidate for these materials/methods as designers seek to optimize membrane-electrode assemblies to achieve higher efficiencies. A major challenge to PEFC design is two-phase flow due to water production which causes pore flooding and leads to cell instability and degradation. To mitigate these effects, groups have investigated the creation of liquid specific pathways in the porous layers to alleviate liquid buildup and enhance gas diffusion. While some progress has been made, traditionally manufactured GDLs, which consist of randomly distributed carbon fibers, are limiting. 3D printed CAs are a promising solution as complex macroporous electrode structures can be manufactured out of micro and nano porous filaments with a high level of control. Additionally, the process may allow for the consolidation of multiple layers (MPL, GDL, & flow channels) into a single printed architecture. In this work various CA lattice structures were printed using a direct ink write (DIW) method and liquid breakthrough pressures were measured to demonstrate the ability to tune the water pathways to achieve specific pressure thresholds. Furthermore, a discussion of the prospects for printed CA electrodes in PEFC will focus on material properties, synthesis techniques, and current challenges.

36 MATERIALS SCIENCE↗

Defect Chemistry and Hydrogen Transport in La/Sr-Based Oxyhydrides

Oxyhydrides in the series La 2 – y Sr y LiH 1 + y O 3 – y are attractive materials for solid-state hydride electrolytes. However, their chemical stability is poor, and thus far only La 2 LiHO 3 (y = 0) has been demonstrated in a working fuel cell. Using a first-principles approach to study defect chemistry and stability, we find that La 2 LiHO 3 can be stabilized over a range of H-rich, O-poor chemical conditions, while Sr 2 LiH 3 O has low stability. Here, defects are critical for ionic transport and for stability, particularly in Sr 2 LiH 3 O, in which anion antisites and H vacancies readily form. In fact, we show that the ground-state structure of Sr 2 LiH 3 O is inherently disordered. La 2 LiHO 3 has low conductivity, which we connect to the high formation energy of defects such as VO and OH that are necessary for hydride conduction. When Sr 2 LiH 3 O is grown under carefully selected conditions, V H + defects can be made prevalent; these defects give rise to much higher ionic conductivity than can be obtained in La 2 LiHO 3 . In general, we show that the choice of synthesis conditions is vital when seeking to optimize the stability and ionic conductivity of these oxyhydrides, thereby tailoring them for use in solid-state hydrogen fuel cells.

08 HYDROGEN↗

Ethanol-fueled metal supported solid oxide fuel cells with a high entropy alloy internal reforming catalyst

High-performance metal supported solid oxide fuel cells (MS-SOFC) with an integrated high entropy alloy (HEA) internal reforming catalyst (IRC) are demonstrated for transportation applications using ethanol and methanol as fuels. Addition of the HEA IRC dramatically improves cell performance and stability when using ethanol/water blend fuel. Absence of carbon deposition predicted by thermodynamic calculations is confirmed by Raman spectroscopy analysis of posttest anodes. Optimal catalyst processing (deposition technique, loading, firing temperature) and cell operation conditions (flow rates, temperature, fuel compositions) are explored. Infiltrated HEA reforming catalyst provides a highly porous structure and low catalyst loading (6 mg cm –2 ). The designed structure and catalysts achieve small mass transport resistances in the fuel electrode (26.2 s m –1 ) and oxygen electrode (41.6 s m –1 ). The best ethanol concentration (60:40 v% ethanol: water) provides 0.83 W cm –1 at 700 °C, without carbon deposition. The ethanol-fueled MS-SOFC is operated for 500 h, including five thermal cycles. As a result, cell evolution is similar to that reported previously for hydrogen fuel; nickel aggregation and chromia deposition were the major observed changes, and carbon formation can be avoided even after long-term operation.

30 DIRECT ENERGY CONVERSION↗

Understanding the Active Site Structures and Achieving Catalytic Activity Tuning of Atomically Dispersed FeN 4 Sites for Oxygen Reduction Reaction

Atomically dispersed Fe–—N—C catalysts with high oxygen reduction reaction (ORR) activity have attracted great attention since the last decade. Due to comparable ORR activity and low material cost, they are promising platinum group metal (PGM)-free catalysts that can replace the commercialized Pt/C materials; furthermore, it can facilitate the efficiency of the fuel cell technologies and mitigate dependence on fossil fuels. Great advancements have been made to experimentally optimize the synthesis approach of the Fe–—N—C catalysts, enhance the ORR activity, and improve the catalyst stability. Similarly, recent theoretical studies also provide enriched understanding of the active site structures, properties, and reaction mechanisms. In this review, discussions are made upon utilizing combined experimental and computational spectroscopy to reveal the active site structures, employing mechanistic studies to investigate reaction thermodynamics and kinetics, as well as developing scaling relationships to assist the design and development of future PGM-free catalyst materials. Furthermore, recent advances in studying Fe–—N—C catalysts utilizing electrified surface models and explicit solvation models are also discussed. Not only can these aspects improve the accuracy of theoretical simulation and predictions but also deepen the understanding of the catalyst properties and reaction mechanisms under the effect of surface charges and solvent molecules.

Fe single-atom catalysts↗

Atomic-scale 3D structural dynamics and functional degradation of Pt alloy nanocatalysts during the oxygen reduction reaction

Pt-based electrocatalysts are the primary choice for fuel cells due to their superior oxygen reduction reaction (ORR) activity. To enhance ORR performance and durability, extensive studies have investigated transition metal alloying, doping, and shape control to optimize the three key governing factors for ORR: geometry, local chemistry, and strain of their surface and subsurface. However, systematic optimization remains incomplete, as it requires an atomic-scale understanding of these factors and their dynamics over potential cycling, as well as their relationship to ORR activity. Here, we implement neural network-assisted atomic electron tomography to measure the 3D atomic structural dynamics and their effects on the functional degradation of PtNi alloy catalysts. Our results reveal that PtNi catalysts undergo shape changes, surface alloying, and strain relaxation during cycling, which can be effectively mitigated by Ga doping. By combining geometry, local chemistry, and strain analysis, we calculated the changes in ORR activity over thousands of cycles and observed that Ga doping leads to higher initial activity and greater stability. These findings offer a pathway to understanding 3D atomic structural dynamics and their relation to ORR activity during cycling, paving the way for the systematic design of durable, high-efficiency nanocatalysts.

Jeong, Chaehwa↗

Atomic/molecular layer deposition for energy storage and conversion

Energy storage and conversion systems, including batteries, supercapacitors, fuel cells, solar cells, and photoelectrochemical water splitting, have played vital roles in the reduction of fossil fuel usage, addressing environmental issues and the development of electric vehicles. The fabrication and surface/interface engineering of electrode materials with refined structures are indispensable for achieving optimal performances for the different energy-related devices. Atomic layer deposition (ALD) and molecular layer deposition (MLD) techniques, the gas-phase thin film deposition processes with self-limiting and saturated surface reactions, have emerged as powerful techniques for surface and interface engineering in energy-related devices due to their exceptional capability of precise thickness control, excellent uniformity and conformity, tunable composition and relatively low deposition temperature. In the past few decades, ALD and MLD have been intensively studied for energy storage and conversion applications with remarkable progress. In this work, we give a comprehensive summary of the development and achievements of ALD and MLD and their applications for energy storage and conversion, including batteries, supercapacitors, fuel cells, solar cells, and photoelectrochemical water splitting. Moreover, the fundamental understanding of the mechanisms involved in different devices will be deeply reviewed. Furthermore, the large-scale potential of ALD and MLD techniques is discussed and predicted. Finally, we will provide insightful perspectives on future directions for new material design by ALD and MLD and untapped opportunities in energy storage and conversion.

25 ENERGY STORAGE↗

Toward Optimizing Electrospun Nanofiber Fuel Cell Catalyst Layers: Polymer–Particle Interactions and Spinnability

We investigate the effect of the poly(acrylic acid) (PAA) carrier polymer concentration on the microstructure and rheological properties of catalyst inks for electrospun polymer–electrolyte membrane fuel-cell catalyst layers. Characterization of an ink microstructure using oscillatory shear rheology showed that the catalyst particles (platinum on carbon) are significantly agglomerated in the absence of PAA or an ionomer. Both the ionomer and PAA promoted the stability of the particles against agglomeration via electrosteric stabilization by adsorbing onto the particle surface. Increasing the PAA concentration increased the stability of the particles (or reduced the agglomerated structure) due to increasing PAA coverage onto the free surface area of the particles. However, beyond a certain increase in concentration, PAA was found to predominantly remain as an excess free polymer in the ink due to an insufficient free/available surface area on the particles for further PAA coverage. Extensional rheology measurements demonstrated that PAA enhances the extensional viscosities of the inks. Consequently, increasing the PAA concentration in the ink promoted the evolution of uniform nanofibers. However, beyond a certain concentration, a significant increase in the shear viscosities of the inks led to defective fiber morphologies because of the onset of flow instabilities. Electrochemical performance comparisons between catalyst layers with different PAA concentrations showed maximum performance at the PAA concentration that led to the least agglomerated structure of the catalyst, most uniform fiber morphologies, and low concentrations of free (non-adsorbing) PAA in the electrode. These results provide a rationale for optimization of electrospun catalyst nanofibers for both spinnability and electrochemical performance.

25 ENERGY STORAGE↗

ElectroCat: Platinum-Group-Metal-Free Engineered Framework Nano-Structure Catalyst (Final Technical Report)

Traditional synthesis methodologies that produce durable, highly active PGM-free electrocatalysts typically consist of a top-down approach utilizing a nitrogen-coordinating precursor, a metal precursor, and a support material. Nitrogen-coordinated transition metal complexes typically are absorbed onto a support material, which is then activated via high-temperature pyrolysis. Selection of the support and the nitrogen coordinating precursor has long been the focal point of efforts to maximize the number of accessible, catalytically active sites. In this project, GWE in collaboration with SRNL and NU will develop durable, highly active, low-cost, PGM-free electrocatalysts for polymer electrolyte membrane fuel cells designed and synthesized using a unique, bottom-up, rationally designed approach. Electrocatalysts are produced via polymerization reaction followed by a high-temperature pyrolysis step. Additionally, this project focuses on catalyst site and ORR mechanistic modeling to better understand the structure-property relationship.

08 HYDROGEN↗

Facet Impact of CuMn 2 O 4 Spinel Nanocatalysts on Enhancement of the Oxygen Reduction Reaction in Alkaline Media

Surface-structure engineering represents an attractive strategy to optimize the energy conversion performance of nanocatalysts using their deliberately controlled exposed facets. To further exploit the potential of non-PGM-based spinel catalysts for alkaline oxygen reduction reaction (ORR), a cathodic fuel cell reaction, we hereby report a strategy of ORR improvement by controlling the crystallographic facets of ultra-small CuMn 2 O 4 spinel nanocatalysts through a developed colloidal synthesis approach. The synthesis of CuMn 2 O 4 nanocrystals with morphological control relies on the design and selection of the Cu-/Mn-precursors with striking discrepancies in reaction kinetics. Following carbon loading and an annealing post-treatment of the as-synthesized nanocatalysts, the exclusively {101} facet-exposed CuMn 2 O 4 spinel nano-octahedra exhibit improved electrocatalytic activity toward ORR in 1 M KOH, when compared to their spherical counterparts, exhibiting a mass activity (MA) of 37.6 A/g at 0.85 V. After 10,000 cycles of ORR durability test, the nano-octahedra still retain an MA of 24.5 A/g, which is twice that of the CuMn 2 O 4 spinel nanospheres. Structural characterizations after durability testing indicate that the MA decay is likely associated with a decrease in the Mn 3+ fraction and the emergence of Cu + on CuMn 2 O 4 nano-octahedral surfaces. Finally, as a paradigm, this synthesis approach could be extended to other Mn-based spinel nanocatalysts with precise shape control, enabling us to understand and establish the relationship between the surface lattice/valence state and electrocatalytic properties.

36 MATERIALS SCIENCE↗

Biomimetic Fe–Cu Porphyrrole Aerogel Electrocatalyst for Oxygen Reduction Reaction

The development of bioinspired catalysts for oxygen reduction reaction is one of the most prominent pathways in the search for active materials to replace Pt-based catalysts in fuel cells. Herein, we report innovative bioinspired catalysts using a directed synthetic pathway to create adjacent Cu and Fe sites. This catalyst is composed of a covalent 3D framework in an aerogel form. Aerogels are high surface area and porous hierarchical structures that can allow the formation of ultrahigh active site density and optimized mass transport of reactants and products to and from the catalytic sites. The aerogel-based catalyst exhibits high performance in a half-cell in 0.1 M KOH, with an onset potential of 0.94 V vs RHE and half-wave potential of E 1/2 = 0.80 V vs RHE, high selectivity toward the four-electron reduction of oxygen to hydroxide anions, and high durability. These results are well-translated to the anion exchange membrane fuel cell (AEMFC), reaching an open circuit potential of 0.97 V and iR-corrected peak power density of 0.51 W cm –2 . Based on density functional theory calculations, the improved activity relative to the Fe-porphyrin and Cu-corrole is ascribed to the effect of the extended carbon network and the proximity of the metal sites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Polybenzimidazole-Based Polymer Electrolyte Membranes for High-Temperature Fuel Cells: Current Status and Prospects

Polymer electrolyte membrane fuel cells (PEMFCs) expect a promising future in addressing the major problems associated with production and consumption of renewable energies and meeting the future societal and environmental needs. Design and fabrication of new proton exchange membranes (PEMs) with high proton conductivity and durability is crucial to overcome the drawbacks of the present PEMs. Acid-doped polybenzimidazoles (PBIs) carry high proton conductivity and long-term thermal, chemical, and structural stabilities are recognized as the suited polymeric materials for next-generation PEMs of high-temperature fuel cells in place of Nafion® membranes. This paper aims to review the recent developments in acid-doped PBI-based PEMs for use in PEMFCs. The structures and proton conductivity of a variety of acid-doped PBI-based PEMs are discussed. More recent development in PBI-based electrospun nanofiber PEMs is also considered. The electrochemical performance of PBI-based PEMs in PEMFCs and new trends in the optimization of acid-doped PBIs are explored.

25 ENERGY STORAGE↗

Advanced Pt-Based Core–Shell Electrocatalysts for Fuel Cell Cathodes

Proton-exchange membrane fuel cells (PEMFCs) are highly efficient energy storage and conversion devices. Thus, the platinum group metal (PGM)-based catalysts which are the dominant choice for the PEMFCs have received extensive interest during the past couple of decades. However, the drawbacks in the existing PGM-based catalysts (i.e., high cost, slow kinetics, poor stability, etc.) still limit their applications in fuel cells. The Pt-based core–shell catalysts potentially alleviate these issues through the low Pt loading with the associated low cost and the high corrosion resistance and further improve the oxygen reduction reaction’s (ORR’s) activity and stability. This Account focuses on the synthetic strategies, catalytic mechanisms, factors influencing enhanced ORR performance, and applications in PEMFCs for the Pt-based core–shell catalysts. We first highlight the synthetic strategies for Pt-based core–shell catalysts including the galvanic displacement of an underpotentially deposited non-noble metal monolayer, thermal annealing, and dealloying methods, which can be scaled-up to meet the requirements of fuel cell operations. Subsequently, catalytic mechanisms such as the self-healing mechanism in the Pt monolayer on Pd core catalysts, the pinning effect of nitrogen (N) dopants in N-doped PtNi core–shell catalysts, and the ligand effect of the ordered intermetallic structure in L10-Pt/CoPt core–shell catalysts and their synergistic effects in N-doped L10-PtNi catalysts are described in detail. Additionally, the core–shell structure in the Pt-based catalysts have two main effects for enhanced ORR performance: (i) the interaction between Pt shells and core substrates can tune the electronic state of the surface Pt, thus boosting the ORR activity and stability, and (ii) the outer Pt shell with modest thickness can enhance the oxidation and dissolution resistance of the core, resulting in improved durability. We then review the recent attempts to optimize the ORR performance of the Pt-based core–shell catalysts by considering the shape, composition, surface orientation, and shell thickness. The factors influencing the ORR performance can be grouped into two categories: the effect of the core and the effect of the shell. In the former, PtM core–shell catalysts which use different non-PGM element cores (M) are summarized, and in the latter, Pt-based core–shell catalysts with different shell structures and compositions are described. The modifications of the core and/or shell structure can not only optimize the intermediate-binding energetics on the Pt surface through tuning the strain of the surface Pt, which increases the intrinsic activity and stability, but also offer a significantly decreased catalyst cost. Finally, we discuss the membrane electrode assembly performance of Pt-based core–shell catalysts in fuel cell cathodes and evaluate their potential in real PEMFCs for light-duty and heavy-duty vehicle applications. Even though some challenges to the activity and lifetime in the fuel cells remain, the Pt-based core–shell catalysts are expected to be promising for many practical PEMFC applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Optimization of Extended-Surface PtNi Nanowire Oxygen Reduction Electrocatalysts Produced via Atomic Layer Deposition

Polymer electrolyte membrane fuel cells (PEMFCs) produce electricity with only heat and water as byproducts, but sluggish kinetics of the oxygen reduction reaction (ORR) at the cathode and durability limitations restrict widespread commercialization, motivating the development of advanced catalysts. In this research, extended-surface platinum nickel (PtNi) nanowires (NWs) synthesized using the scalable atomic layer deposition (ALD) technique are investigated with the goal of exploring the durability benefits of high-aspect-ratio electrocatalysts and the tunability of beneficial kinetic properties. The surface and bulk composition and the structure of the PtNi NWs were investigated as a function of a series of postsynthesis modifications. The results from a combination of electron microscopy and X-ray spectroscopy characterization techniques were correlated to electrochemical performance to gain a comprehensive understanding of the structure-property-performance relationships. The robust structure of the ALD-derived NWs enabled additional postsynthesis optimization steps, which were not possible with previous-generation materials synthesized via spontaneous galvanic displacement, resulting in a catalyst with beneficial properties for catalyst kinetics as well as improved durability. Our study demonstrates potential pathways toward further improving the performance of this class of materials through optimization of bulk and surface properties of the catalyst.

30 DIRECT ENERGY CONVERSION↗

Coupled continuum and network model framework to study catalyst layers of polymer electrolyte fuel cells

The nanostructured thin film (NSTF) catalyst layers which have demonstrated high power densities, mass activities, and exceptional metal and support stability can have limited operational robustness due to their thin thickness and the hydrophilicity of the metal-coated nano whiskers. The dispersed nanostructured thin film (dNSTF) catalyst layers have been developed by dispersing the NSTF Pt whiskers with ionomer and carbon support to increase the thickness and hydrophobicity. Continuum and network models (NM) are coupled through boundary conditions to study the polymer electrolyte fuel cell with a dNSTF cathode catalyst layer. The coupled model combines the computational efficiency of the continuum model with the pore-scale information in the dNSTF cathode catalyst layer of the NM. It captures the special morphology of the partially ionomer/water covered cylindrical whiskers, as well as water percolation through the pore structures and their impact on the cell performance. Here we observe optimal ionomer coverage on whiskers to be 0.5, ionomer to carbon ratio to be 0.9 and higher whisker to carbon ratios to be desired.

08 HYDROGEN↗

Regulating catalyst and ionomer interactions to promote oxygen transport in fuel cells

The cost of proton exchange membrane fuel cells (PEMFCs) has been a major impediment to their widespread commercialization. Reducing platinum (Pt) usage in PEMFC represents an essential step in lowering the cost. However, decreasing Pt loading in the cathode catalyst layer (CCL) often leads to a significant increase in the local oxygen transport resistance (R Local ), which not only slows the oxygen reduction reaction but also causes a higher polarization overpotential. The poisoning of Pt by perfluorosulfonic acid ionomers also becomes more predominant at low Pt loadings. Therefore, regulating catalyst and ionomer interactions by optimizing their interface in the CCL is crucial to improving PEMFC performance. Here, in this review, the strategies of improving oxygen transport by controlling Pt-ionomer interactions and interfaces through catalyst design, ionomer structure, and incorporation of additives are summarized. Finally, perspectives on future optimization of catalyst and ionomer interactions are proposed.

25 ENERGY STORAGE↗

3D printed optimized electrodes for electrochemical flow reactors

Recent advances in 3D printing have enabled the manufacture of porous electrodes which cannot be machined using traditional methods. With micron-scale precision, the pore structure of an electrode can now be designed for optimal energy efficiency, and a 3D printed electrode is not limited to a single uniform porosity. As these electrodes scale in size, however, the total number of possible pore designs can be intractable; choosing an appropriate pore distribution manually can be a complex task. To address this challenge, we adopt an inverse design approach. Using physics-based models, the electrode structure is optimized to minimize power losses in a flow reactor. The computer-generated structure is then printed and benchmarked against homogeneous porosity electrodes. We show how an optimized electrode decreases the power requirements by 16% compared to the best-case homogeneous porosity. Future work could apply this approach to flow batteries, electrolyzers, and fuel cells to accelerate their design and implementation.

25 ENERGY STORAGE↗