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At least 91 records · Page 5

Rheological and microstructural characterization of aqueous suspensions of carbon black and reduced graphene oxide

Carbon black is often used as a conductivity enhancer in battery electrodes. Reduced graphene oxide is another conducting material, with a high aspect ratio sheet-like morphology, and offers the possibility of generating a conducting network at loadings that are small compared to carbon black. Suspensions of conducting carbon, active materials and binders are typically coated on current collectors during the formation of electrodes. The rheology of these suspensions is an important indicator of the connectivity of particles in the suspension and impacts the electrical conductivity as well as the thickness of the coated layer. In this work, the rheology and microstructures of aqueous suspensions of para-aminobenzoic acid terminated carbon black (CB) with and without reduced graphene oxide (RGO) were investigated. The CB loading varied between 0.05 wt.% -10 wt.%, while the samples containing RGO had an RGO loading of 0.05 wt.%. The pH of the suspension was varied from 7.5 to 3. The carboxyl groups on the CB surface are deprotonated at pH 7.5, making the particles hydrophilic. Protonation of the carboxylate groups at pH 3 makes the particles partially hydrophobic. Suspensions of CB showed Newtonian behavior at all loadings for pH 7.5, and at loadings below 1.5 wt.% for pH 3. They are shear thinning at loadings between 1.5–10 wt.%. Interestingly, the low shear viscosity is non-monotonic with CB loading, rising up to a CB loading of 7.5 wt.%, and then dropping at 10 wt.%. Cryogenic scanning electron microscopy (SEM) showed CB particles forming aggregates at pH 3 for CB loadings greater than 1.5 wt.%. At pH 3, addition of 0.05 wt.% RGO resulted in a viscosity increase for suspensions containing 0.5 wt.% CB, as the RGO formed connections with CB particles that enhanced network formation. Adding RGO had little effect on suspensions that had 1.5 wt.% CB. The combination of SEM imaging and suspension rheology provides insight into the particle connectivity for the carbon-based materials studied here. These insights will be useful in determining coating conditions for slurries used in rechargeable battery electrodes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Distinct Melt Infusion Architectures of Antiperovskite Solid Electrolytes

Antiperovskite solid electrolytes are an emerging class of lithium‐ion conductors distinguished by their unusually low melting points, enabling scalable, low‐temperature processing routes not accessible to most solid electrolytes. In this work, we synthesize phase‐pure chloride (Cl), bromide (Br), and mixed halide (ClBr) variants of antiperovskites and investigate their ionic conductivities in both powder and hot‐pressed forms. Hot pressing significantly enhances conductivity across all compositions, while energy‐dispersive X‐ray spectroscopy (EDS) of the mixed halide system reveals halide surface migration during densification. We further investigate the melt‐infiltration behavior of these electrolytes into substrates relevant to solid‐state battery architectures, including Al and Cu current collectors, conventional NMC and LFP cathodes, and a foamed NMC cathode with a highly porous architecture. The foamed cathode enables deep and uniform electrolyte penetration, highlighting the role of electrode architecture in facilitating melt infiltration. Across all substrates, electrolyte halide chemistry strongly influences wetting behavior, penetration depth, and resulting microstructural morphology. Together, these results establish clear processing–structure relationships for melt‐infiltrated antiperovskite solid electrolytes and demonstrate how electrolyte chemistry and electrode architecture govern interfacial morphology during integration, providing practical guidelines for processing and structural design in solid‐state battery systems.

antiperovskite↗

A Finite Difference Analysis of the Effect of Graphene Additions on the Electrical Conductivity of Polycrystalline Copper

A finite-difference method was used to explore the effect of graphene on the bulk electrical conductivity of copper-graphene composites. In this capacity, grain orientation information from pure copper and copper-graphene composites were used to generate synthetic 3D microstructures. The electrical conductivity of these microstructures were calculated using the finite difference method assuming different average grain sizes. From these calculations, we demonstrate that when high-conductivity grain boundaries are present within the microstructure arising from the presence of graphene, an increase in the bulk electrical conductivity is observed. On the other hand, the difference in textures between copper and copper-graphene composites may not account for a significant difference in bulk electrical conductivity. In comparison, the copper grain size has a considerably larger effect on electrical conductivity as previously anticipated. This is one of the first demonstrations of a physical basis for enhanced conductivity composites and presents pathways for further investigations on the effects of composite microstructural features, material interfaces and graphene content on electrical performance.

Frazier, William E.↗

COMSOL Models and Simulation Results for Closed-Loop Geothermal Systems with Thermal Enhancements

The Closed-Loop Geothermal Working Group and the National Renewable Energy Laboratory (NREL) have studied the performance of disc-shaped and linear thermal enhancements (conductive material introduced around a wellbore) in closed-loop geothermal systems. COMSOL models were developed to investigate the increase in heat production in systems with thermal enhancements compared to those without, across a range of scenarios. This dataset includes two example COMSOL models, a summary of the simulation results, and a link to an accompanying paper. Studied are idealized versions of two thermal enhancement designs: (1) existing or newly created fractures surrounding the wellbore, filled with highly conductive material, and (2) a 'fishbone structure,' where short wellbores are drilled radially outward from the main wellbore and filled with highly conductive material.

15 GEOTHERMAL ENERGY↗

Enhancement of Thermal Conductivity of Bentonite Buffer Materials with Copper Wires/Meshes for High-Level Radioactive Waste Disposal

In high-level radioactive waste disposal, a heat-generating waste canister is generally encased with a layer of bentonite-based buffer material acting as an engineered barrier to limit water percolation and radionuclide release. The low thermal conductivity of bentonite (~0.5 W/m∙K) combined with a high thermal loading waste package may result in a high surface temperature on the package that can potentially impact the structural integrity of the package itself as well as the surrounding buffer material. We show in this paper that the thermal conductivity of bentonite can be effectively enhanced by embedding copper wires/meshes across the buffer layer to form fully connected high heat conduction pathways. A simple calculation based on Rayleigh’s model shows that a required thermal conductivity of 5 W/m∙K for effective heat dissipation can be achieved simply by adding ~1 vol % of copper wires/meshes into bentonite. As a result, the peak surface temperature on a large waste package such as a dual-purpose canister can be reduced by up to 300°C, leading to a significant reduction in the surface storage time for waste cooling and therefore the overall cost for direct disposal of such waste packages. Because of the ensured full thermal percolation across the buffer layer, copper wires/meshes turn out to be much more effective than any other materials currently suggested (such as graphene or graphite) in enhancing the thermal conductivity of buffer material. Furthermore, the embedded copper wires/meshes can help reinforce the mechanical strength of the buffer material, thus preventing the material from a potential erosion by a possible intrusion of dilute groundwater.

36 MATERIALS SCIENCE↗

Evaluation of sintered bauxite proppant for binary enhanced geothermal systems

Abstract Solid granular proppant particles are widely used in oil and gas development to sustain permeability through fractures after hydraulic stimulation. Similar proppants are of interest for geothermal applications where the goal of sustaining permeability is the same, but the harsh geothermal environment risks rapid proppant degradation that will reduce fracture permeability. Here, we present proppant conductivity experiments using saw cut granite, tensile fractured granite, and aluminum control specimens packed with sintered bauxite ceramic proppants at concentrations of 0.0, 0.1, and 1.0 kg/m 2 . Simulated geothermal conditions included temperatures up to 130 °C and normal closure stresses up to 60 MPa. Compared to unpropped specimens, peak fracture conductivity enhancement was up to 6 orders of magnitude. At simulated geothermal conditions, proppants were able to sustain fracture conductivity over 60 h, but chemical dissolution and decreasing permeability over time were evident. Irreversible conductivity reductions with crushing and embedment of proppants during loading stages were also observed. Overall, sintered bauxite proppant remains a promising option for low-temperature binary-cycle enhanced geothermal systems.

58 GEOSCIENCES↗

A Library of Atomically Thin 2D Materials Featuring the Conductive-Point Resistive Switching Phenomenon

Non-volatile resistive switching (NVRS) is a widely available effect in transitional metal oxides, colloquially known as memristors, and of broad interest for memory technology and neuromorphic computing. Until recently, NVRS was not known in other transitional metal dichalcogenides (TMDs), an important material class owing to their atomic thinness enabling the ultimate dimensional scaling. Here, various monolayer or few-layer 2D materials are presented in the conventional vertical structure that exhibit NVRS, including TMDs (MX 2 , M = transitional metal, e.g., Mo, W, Re, Sn, or Pt; X = chalcogen, e.g., S, Se, or Te), TMD heterostructure (WS2/MoS2), and an atomically thin insulator (h-BN). These results indicate the universality of the phenomenon in 2D non-conductive materials, and feature low switching voltage, large ON/OFF ratio, and forming-free characteristic. A dissociation–diffusion–adsorption model is proposed, attributing the enhanced conductance to metal atoms/ions adsorption into intrinsic vacancies, a conductive-point mechanism supported by first-principle calculations and scanning tunneling microscopy characterizations. Our results motivate further research in the understanding and applications of defects in 2D materials.

36 MATERIALS SCIENCE↗

Thermal effects mediating the flow induced by laser-induced optical breakdown

Here, a short focused laser pulse can generate a hot plasma, which expands then contracts and can eject a hot jet, the speed and direction of which is sensitive to the details of the plasma kernel. The coupling of thermal and chemical nonequilibrium plasma mechanisms with this hydrodynamic development is assessed with detailed simulations of a two-temperature, three-species plasma model. Time scales for electron recombination, thermal relaxation, and diffusion are compared to that of the plasma expansion to anticipate conditions in which these mechanisms might affect the vorticity generation that leads to the ultimate flow pattern. The effect of these mechanisms are analyzed through comparison with corresponding inert-gas and equilibrium models. Thermal-nonequilibrium effects are found to be weak due to rapid relaxation of the heavy-particle and electronic temperatures. In contrast, chemical equilibration occurs at a rate comparable to the expansion and thereby enhance both it and subsequent hydrodynamic mechanisms as the energy stored in ion formation during the preceding breakdown is released by electron recombination. Thermal conduction, enhanced by high-temperature free electrons, weakens the ejection.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Significantly Promoting the Thermal Conductivity and Machinability of Negative Thermal Expansion Alloy via In Situ Precipitation of Copper Networks

Rapid advancements in electronic devices yield an urgent demand for high-performance electronic packaging materials with high thermal conductivity, low thermal expansion, and great mechanical properties. However, it is a great challenge for current design philosophies to fulfill all the requirements simultaneously. Here, an effective strategy is proposed for significantly promoting the thermal conductivity and machinability of negative thermal expansion alloy (Zr,Nb)Fe 2 through eutectic precipitation of copper networks. The eutectic dual-phase alloy exhibits an isotropic chips-matched thermal expansion coefficient and a thermal conductivity enhancement exceeding 200% compared with (Zr,Nb)Fe 2 , along with an ultimate compressive strength of 550 MPa. The addition of copper reorganizes the composition of (Zr,Nb)Fe 2 , which smooths the magnetic transition and shifts it toward higher temperature, resulting in linear low thermal expansion in a wide temperature range. The highly fine eutectic copper lamellae construct high thermal conductivity networks within (Zr,Nb)Fe 2 , serving as highways for heat transfer electrons and phonons. The in situ forming of eutectic copper lamellae also facilitates the mechanical properties by enhancing interfacial bonding and bearing additional stress after yielding of (Zr,Nb)Fe 2 . This work provides a novel strategy for promoting thermal conductivity and mechanical properties of negative thermal expansion alloys via eutectic precipitation of copper networks.

36 MATERIALS SCIENCE↗

The Role of Oxygen Transfer in Oxide Heterostructures on Functional Properties

A variety of mechanisms are reported to play critical roles in contributing to the high carrier/electron mobility in oxide/SrTiO 3 (STO) heterostructures. By using La 0.95 Sr 0.05 TiO 3 (LSTO) epitaxially grown on different single crystal substrates (such as STO, GdScO 3 , LaAlO 3 , (LaAlO 3 ) 0.3 (Sr 2 AlTaO 6 ) 0.7 , and CeO 2 buffered STO) as the model systems, the formation of a conducting substrate surface layer (CSSL) on STO substrate is shown at relatively low growth temperature and high oxygen pressure (725 °C, 5 × 10 –4 Torr), which contributes to the enhanced conductivity of the LSTO/STO heterostructures. Different from the conventional oxygen vacancy model, this work reveals that the formation of the CSSL occurs when growing an oxide layer (LSTO in this case) on STO, while neither annealing nor the growth of an Au layer alone at the exact same growth condition generates the CSSL in STO. It demonstrates that the oxide layer actively pulls oxygen from STO substrate at given growth conditions, leading to the formation of the CSSL. Here, the observations emphasize the oxygen transfer across film/substrate interface during the synthesis of oxide heterostructures playing a critical role in functional properties.

36 MATERIALS SCIENCE↗

MOF-Transformed In 2 O 3-x @C Nanocorn Electrocatalyst for Efficient CO 2 Reduction to HCOOH

For electrochemical CO 2 reduction to HCOOH, an ongoing challenge is to design energy efficient electrocatalysts that can deliver a high HCOOH current density (J HCOOH ) at a low overpotential. Indium oxide is good HCOOH production catalyst but with low conductivity. In this work, we report a unique corn design of In 2 O 3-x @C nanocatalyst, wherein In 2 O 3-x nanocube as the fine grains dispersed uniformly on the carbon nanorod cob, resulting in the enhanced conductivity. Excellent performance is achieved with 84% Faradaic efficiency (FE) and 11 mA cm –2 J HCOOH at a low potential of – 0.4 V versus RHE. At the current density of 100 mA cm –2 , the applied potential remained stable for more than 120 h with the FE above 90%. Density functional theory calculations reveal that the abundant oxygen vacancy in In 2 O 3-x has exposed more In 3+ sites with activated electroactivity, which facilitates the formation of HCOO* intermediate. Operando X-ray absorption spectroscopy also confirms In 3+ as the active site and the key intermediate of HCOO* during the process of CO 2 reduction to HCOOH.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Structural effects of composition tuning in A-site disordered perovskite La0.5Li0.5−xMxTiO3 (M = Na, K) nanorods for fast interfacial transport for solid composite electrolyte design

Polymer-ceramic composite electrolytes (CPE) have emerged as promising replacements for currently used liquid organic electrolytes, which pose as safety hazards, in Li-ion batteries. Limits in conductivity enhancement in CPEs is often attributed to a high resistance for Li-ion transport along the interface due to the incompatibility of the polymer and ceramic phases. A clear understanding of the interfacial structure and how this impacts interfacial Li-ion transport is needed in order to efficiently design a CPE with optimal ionic conductivity. In this study, density functional theory (DFT) calculations, in conjunction with scanning transmission electron microscopy (STEM) and electron energy loss spectroscopy (EELS), are used to unveil the bulk and surface structure of La0.5Li0.5−xMxTiO3 (M = Na, K) (LMTO) nanorods, a newly-reported ceramic system with promising applications in CPEs, and the LMTO interactions with the poly(lithium sulfonyl (trifluoromethane sulfonyl)imide methacrylate) (p(MTFSILi)) polymerized ionic liquid. Substitution of lithium for sodium and potassium onto the A-site perovskite lattice is shown to increase the stability of the preferred pseudocubic perovskite phase because of their increased cation size which allows them to reduce the TiO6 octahedral rotations in the bulk and at the surface. STEM and EELS results show that LMTO nanorods with differing compositions have Ti-enriched (110)-oriented surfaces. Increased sodium and potassium compositions in LMTO is also shown using the DFT calculations to weaken the binding of the lithium atom to the MTFSI unit when LiMTFSI is adsorbed to the LMTO surface. This weakening of lithium binding to the polymer at the LMTO interface indicates that the lithium mobility is increased, correlating to an increase in interfacial Li-ion transport. Overall, this work provides insights into how to tune the interfacial interactions between the polymer (p(MTFSI)) and ceramic (LMTO) for optimal CPE design.

Shepard, Lauren B [Pennsylvania State University, ↗

Thermal energy storage composites with preformed expanded graphite matrix and paraffin wax for long-term cycling stability and tailored thermal properties

Harvesting solar energy, preventing hot spots in electronics, transport of temperature-sensitive materials, and capture and repurposing of thermal energy require a latent heat thermal energy storage (TES) system to store/discharge heat repeatedly. For the practical application of phase change material (PCM) composites within TES systems, reliable thermal performance throughout its operational lifetime is essential. Nevertheless, the reliability of thermal conductivity in multi-phase composites over relevant numbers (>10 3 ) of melt/freeze cycles has barely been studied, particularly for composites containing fillers for thermal conductivity enhancement. Here, we introduce a preform-type expanded graphite (EG)/paraffin wax composite possessing highly robust heat transfer and storage properties even after 10,000 melt/freeze cycles. To achieve such excellent reliability, comparative studies on the combined influence of fabrication process, particle size, EG vol%, binder amount, and compaction on both magnitude and robustness of thermal conductivity were undertaken. Our parametric study has yielded a trade-off between thermal conductivity and latent heat. Based on our modeling, 20 vol% EG approaches the case where all EG particles are well-connected thermally while 10 vol% EG is close to loosely connected fillers in the matrix. Thermal conductivity of our paraffin composites containing 20 vol% EG (25.1 W·m -1 ·K -1 ) is highest among other EG/paraffin composites without aligned EG in the literature. After 10,000 thermal cycling, negligible conductivity fading was observed for the 10 vol% EG composite, while reduction in latent heat remained within 10% for all 10, 14, 17 and 20 vol% EG samples. Here we anticipate this work provides insight on suitable recipe for desirable magnitude and robustness of thermal conductivity of EG/paraffin composites.

25 ENERGY STORAGE↗

Anion and cation co-doping of Na 4 SnS 4 as sodium superionic conductors

Na based all-solid-state batteries are one of the most promising candidates for large-scale electrochemical energy storage owing to their low cost and outstanding safety properties. The key enabler of this technology is solid electrolyte with sufficiently high ionic conductivity at room temperature. In this work, the design, synthesis, characterization and testing of a series of novel fast Na-ion conductors, Na 4-x-y Sn 1-x A x S 4-y X y with aliovalent cation (P 5+ /Sb 5+ ) and anion substitutions (Cl - /Br - ) of the parent compound Na 4 SnS 4 are reported. The doped samples crystalize in a new phase with space group I4 1 /acd and show ionic conductivities that are one to four orders of magnitude higher than that of undoped Na 4 SnS 4 . R. t. conductivity of 0.64 mS cm -1 is achieved in Na 3.7 Sn 0.8 Sb 0.2 S 3.9 Cl 0.1 with a low activation energy of 0.26 eV. Furthermore, Rietveld refinement against high resolution synchrotron X-ray powder diffraction data reveals that the distribution of the doping ions and the resulted Na vacancies are underlying cause of the enhanced conductivity.

36 MATERIALS SCIENCE↗

Laser Crystallization and Dopant Activation of a-Si:H Carrier-Selective Layer in TOPCon Si Solar Cells

Herein, we present a pulsed-laser processing method for crystallization and dopant activation of a highly n-doped amorphous silicon (a-Si:H) carrier-selective layer in a tunnel oxide passivated contact (TOPCon) Si solar cell structure. Here, the laser method provides enhanced conductivity and implied open circuit voltage while reducing emitter saturation current density and surface heating, as opposed to conventional high-temperature furnace annealing of the bulk Si wafer with a TOPCon structure. We identify an appropriate laser wavelength, fluence, and layer thickness using modeling and simulations. Raman and Hall effect measurements demonstrate increased crystallinity and dopant activation, whereas photoconductive decay shows enhanced surface and interface passivation quality. Additionally, we examine the role of subsequent SiNx deposition on further improving the passivation of laser-processed TOPCon layers to achieve a 5.9 kΩ/sq film sheet resistance, 2 ms effective carrier lifetime, 718 mV implied open-circuit voltage (iVOC), and 8.6 fA/cm 2 one-side recombination current density (J0) with the potential for further passivation improvement via laser process and a-Si layer thickness optimization.

14 SOLAR ENERGY↗

Fundamental studies of thermal and electrical transport in microporous metal-organic frameworks

In this work, we established porous metal-organic frameworks (MOFs) as designer conductors of electrons and ions relevant to fundamental research and technological applications. MOFs are porous, crystalline materials composed of organic linkers and inorganic nodes. While most MOFs are insulating with respect to ionic and electronic charge carriers, a number of exceptions have been reported in recent years. Electrically conductive MOFs are highly attractive for applications including electrical energy storage, chemiresistive sensing, and optoelectronics because of their high surface areas and tunable chemical properties. Ion-conducting MOFs are desirable for the synthetically tunable size, shape, and polarity of their pore environments, allowing for the tailored development of solid state electrolytes for metal-ion batteries. We developed systematic strategies for the design of MOFs that conduct ions and electrons. For each objective, we leveraged the versatile chemistry of these materials to obtain frameworks with targeted properties towards electronic or ionic charge carriers. We studied the factors that govern electrical transport in MOFs in order to gain fundamental knowledge of this emerging class of materials. We took several approaches to tackle this problem from multiple angles. Namely, we synthesized and characterized new frameworks, investigated post-synthetic modifications to enhance conductivity, and correlated theory and experiment to uncover new mechanistic findings. These results, which put forth new design principles for conductive MOFs, move the field toward one of the DOE Basic Energy Sciences Grand Challenges: to “design and perfect atom- and energy-efficient synthesis of revolutionary new forms of matter with tailored properties.” In addition to investigating the movement of electrons in MOFs, we also studied the movement of other charged species in MOFs, such as protons, lithium, and magnesium. Proton-conducting frameworks could be appealing materials for solid state electrolytes in fuel cells. In addition, they contain crystallographically defined proton-conducting channels, in contrast with state-of-the-art polymer membranes such as Nafion, which are amorphous. Controlling pore size and polarity in MOFs can thus shed light on proton and other ion transport mechanisms, ultimately enabling the design of more advanced electrolyte materials and potentially novel electrical energy storage materials.

36 MATERIALS SCIENCE↗

Effect of buffer termination on intermixing and conductivity in LaTiO 3 /SrTiO 3 heterostructures integrated on Si(100)

Here, the control of chemical exchange across heterointerfaces formed between ultrathin functional transition-metal oxide layers provides an effective route to manipulate the electronic properties of these systems. By determining the layer-resolved structural profile across the interface between the Mott insulator, LaTiO 3 (LTO) grown epitaxially on SrTiO 3 (STO)-buffered silicon by molecular beam epitaxy, we find that interfacial cationic exchange depends on the surface termination of the strained STO buffer. Using a combination of temperature-dependent transport and synchrotron x-ray crystal truncation rods and reciprocal space mapping, an enhanced conductivity in STO/LTO/SrO-terminated STO buffers compared to heterostructures with TiO 2 -terminated STO buffers is correlated with La/Sr exchange and the formation of metallic La 1-x Sr x TiO 3 . La/Sr exchange effectively reduces the strain energy of the system due to the large lattice mismatch between the nominal oxide layers and the Si substrate.

36 MATERIALS SCIENCE↗

Impact of Dispersion Solvent on Ionomer Thin Films and Membranes

Perfluorosulfonic acid (PFSA) ionomers are an important class of materials that many electrochemical devices rely on as their ion-conducting electrolyte. Often, PFSA films are prepared through solution-processing techniques. Previous research has demonstrated that the solvent environment affects PFSA dispersion conformation, but it is not clear to what extent (if at all) these conformational effects persist for thin films and membranes upon casting, nor how dispersion solvent impacts film formation during the drying process. Here in this paper, we explore these questions by systematically examining the effect of Thin Film all length scales affected by dispersion solvent water and n-propanol mixtures on PFSA thin-film formation and structure, membrane structure, and resulting properties. Using a combination of in situ, time-resolved grazing incidence X-ray scattering and tender wide-angle X-ray scattering, it is shown that films prepared from high-water-concentration dispersions exhibit stronger interactions and arrangement upon drying, and possess larger network domain sizes than those prepared from low-water-concentration dispersions. These stronger interactions likely manifest in greater network connectivity, as evidenced by enhanced conductivity for membranes and decreased water uptake for thin films. Significantly, these solvent-induced differences persist even after thermal annealing. It is clear that the dispersion solvent choice is a critical parameter controlling PFSA nano- and mesoscale structure and presents an important dial with which to direct PFSA macroscale properties.

36 MATERIALS SCIENCE↗