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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Investigation of Accessible Pore Structure Evolution under Pressurization and Adsorption for Coal and Shale Using Small-Angle Neutron Scattering

Pore structure is an important parameter to quantify the reservoir rock adsorption capability and diffusivity, both of which are fundamental reservoir properties to evaluate the gas production and carbon sequestration potential for coalbed methane (CBM) and shale gas reservoirs. In this study, we applied small-angle neutron scattering (SANS) to characterize the total and accessible pore structures for two coal and two shale samples. We carried out in situ SANS measurements to probe the accessible pore structure differences under argon, deuterated methane (CD 4 ), and CO 2 penetrations. The results show that the total porosity ranges between 0.25 and 5.8% for the four samples. Less than 50% of the total pores are accessible to CD 4 for the two coals, while more than 75% of the pores were found to be accessible for the two shales. This result suggests that organic matter pores tend to be disconnected compared to mineral matter pores. Argon pressurization can induce pore contraction because of the mechanical compression of the solid skeleton in both the coal and shale samples. Hydrostatic compression has a higher effect on the nanopores of coal and shale with a higher accessible porosity. Both methane and CO 2 injection can reduce the accessible nanopore volume due to a combination of mechanical compression, sorption-induced matrix swelling, and adsorbed molecule occupation. CO 2 has higher effects on sorption-induced matrix swelling and pore filling compared to methane for both the coal and shale samples. Gas densification and pore filling could occur at higher pressures and smaller pore sizes. In conclusion, the compression and adsorption could create nanopores in the San Juan coal and Marcellus shale drilled core but could have an opposite effect in the other samples, namely, the processes could damage the nanopores in the Hazleton coal and Marcellus shale outcrop.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2025

Nondestructive In Operando Imaging of Thin Film Composite Membrane Compaction Enhanced by AI-Based Segmentation

Reverse osmosis (RO) membranes are essential for desalination and water reuse, yet their permeability declines in high-pressure applications due to membrane compaction. This study investigates the structural and functional responses of commercial brackish, seawater, and high-pressure RO membranes at applied pressures up to 120 bar using a multiscale, nondestructive in operando scanning electron microscopy (iSEM) imaging platform. The iSEM technique reveals progressive densification across the composite membrane structure, which correlates with observed declines in water and solute permeance. To quantify these structural changes with greater fidelity, we combined X-ray computed tomography with AI-based segmentation enabling precise analysis of pore size distribution and thickness of the polysulfone support layer. Compared to traditional thresholding, AI segmentation accurately delineates material phases and void spaces, enhancing the reproducibility and resolution of morphological assessments. The results demonstrate that compaction-induced reductions in porosity and thickness strongly impact membrane transport properties. These findings provide mechanistic insights into the compaction behavior of RO membranes and underscore the potential for advanced imaging and AI-driven data analysis to guide the design of next-generation membranes with improved mechanical resilience and operational longevity.

13 HYDRO ENERGY↗
DOE OSTI2015

Untangleing the effects of chain rigidity on the structure and dynamics of strongly adsorbed polymer melts

Here, we present a detailed analysis of coarse-grained molecular dynamics simulations of semiflexible polymer melts in contact with a strongly adsorbing substrate. We have characterized the segments in the interfacial layer by counting the number of trains, loops, tails and unadsorbed segments. For more rigid chains, a tail and an adsorbed segment (a train) dominate while loops are more prevalent in more flexible chains. The tails exhibit a non-uniformly stretched conformation akin to the polydispersed pseudobrush envisioned by Guiselin. To probe the dynamics of the segments we computed the layer z-resolved intermediate coherent collective dynamics structure factor, S(q, t, z), mean-square displacement of segments, and the 2nd Legendre polynomial of the time-autocorrelation of unit bond vectors, 2 [n i (t,z)•n i (0,z)]>. Our results show that segmental dynamics is slower for stiffer chains and there is a strong correlation between the structure and dynamics in the interfacial layer. There is no glassy layer, and the slowing down in dynamics of stiffer chains in the adsorbed region can be attributed to the densification and the more persistent layering of segments.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Impact of Asymmetric Microstructure on Ion Transport in Ti 3 C 2 T x Membranes

Consolidation or densification of low-dimensional MXene materials into membranes can result in the formation of asymmetric membrane structures. Nanostructural (short-range) and microstructural (long-range) heterogeneity can influence mass transport and separation mechanisms. Short-range structural dynamics include the presence of water confined between the 2D layers, while long-range structural properties include the formation of defects, micropores, and mesopores. Herein, it is demonstrated that structural heterogeneity in Ti 3 C 2 T x membranes fabricated via vacuum-assisted filtration significantly affects ion transport. Higher ion permeabilities are achieved when the dense “bottom” side of the membrane, rather than the porous “top” side, faces the feed solution. Characterization of the membrane reveals distinct differences in flake alignment, surface roughness, and porosity across the membrane. In conclusion, the directional dependence on permeability suggests that one region of the membrane experiences stronger internal concentration polarization, potentially suppressing permeability through the porous side of the membrane.

MXene↗
DOE OSTI2025

Revealing Progressive Degradation of Cobalt Oxide Nanoparticles During Thermochemical Redox Cycling via Operando STEM-EELS

Metal oxides are promising materials for long-duration thermochemical energy storage. Efforts to characterize their reaction kinetics, conversion rate, and morphological evolution during thermochemical cycling have largely focused on bulk and microscale measurements. However, the design of nanostructured metal oxides could improve the reaction reversibility and kinetics, warranting the development of platforms to investigate how these materials behave at the nanoscale. Here, we demonstrate the use of correlative, time-resolved electron energy loss spectroscopy and imaging in an environmental transmission electron microscope for studying the thermochemical cyclability of cobalt oxide nanoparticles with high spatial and temporal resolution. The spectroscopic data reveal a striking decrease in reaction kinetics after the first cycle, resulting from sintering-driven nanostructural densification. Comparison between cycling in humid and dry air shows that atmospheric conditions can modulate reaction transition temperatures but have limited effects on sintering over multiple cycles, suggesting long-term durability will instead rely on synthetic and/or nanostructural modifications.

25 ENERGY STORAGE↗
DOE OSTI2023

Importance of the Heat Treatment Scheme on Self-Reducing Reactive Silver Inks

Self-reducing reactive silver inks can print high-quality silver at reasonable temperatures. While numerous studies have explored the impact of processing temperature on electrical properties, the role of the heat treatment scheme has not yet been studied. Common heat treatment schemes include printing and drying inks at room temperature before heat treatment, performing heat treatments while the inks are still wet, and directly printing the inks onto heated substrates. Each scheme generates distinct heat transfer and mass transport kinetics that can affect the silver morphology and electrical properties. However, to date, the impact of different schemes has not been systematically investigated. To address this knowledge gap, this work investigates how different heat treatment schemes impact metal formation, sintering, and the resultant electrical properties of printed self-reducing reactive silver inks. Heat treatment on room-temperature dried inks and wet inks, with top-down (oven) and bottom-up (hot plate) heating sources, were compared. Inks dried at room temperature resulted in extremely porous films that required high heat treatment temperatures (>100 °C) for silver densification. However, these dried films could only densify locally, and their high initial porosities resulted in voids and high resistances (~0.6 Ω mm –1 ) even after heat treatments above 300 °C. Inks that were wet during heat treatment showed moderate improvements in electrical properties with resistances on the order of 0.4 Ω mm –1 at heat treatments of 250 °C. Printing reactive inks directly onto heated substrates yielded the best low-temperature results, with 0.46 Ω mm –1 (5.5 × bulk silver) line resistances achieved at only 90 °C. Overall, this work’s experimental results provide detailed insights into why printing onto a heated substrate results in superior electrical performance compared to more common heat treatment schemes. Additionally, controlling where the precipitation reaction occurs is critical to controlling the film morphology and properties. As a result, this work shows that even an ammonia-based silver reactive ink can achieve good, low-temperature electrical properties with the proper heat treatment scheme.

14 SOLAR ENERGY↗
DOE OSTI2021

Irradiation-Driven Restructuring of UO 2 Thin Films: Amorphization and Crystallization

Combustion synthesis in uranyl nitrate–acetylacetone–2-methoxyethanol solutions was used to deposit thin UO 2 films on aluminum substrates to investigate the irradiation-induced restructuring processes. Thermal analysis revealed that the combustion reactions in these solutions are initiated at ~160 °C. The heat released during the process and the subsequent brief annealing at 400 °C allow the deposition of polycrystalline films with 5–10 nm UO 2 grains. The use of multiple deposition cycles enables tuning of the film thicknesses in the 35–260 nm range. Irradiation with Ar 2+ ions (1.7 MeV energy and a fluence of up to 1 × 10 17 ions/cm 2 ) is utilized to generate a uniform distribution of atomic displacements within the films. X-ray fluorescence (XRF) and alpha-particle emission spectroscopy showed that the films were stable under irradiation and did not undergo sputtering degradation. X-ray photoelectron spectroscopy (XPS) showed that the stoichiometry and uranium ionic concentrations remain stable during irradiation. The high-resolution electron microscopy imaging and electron diffraction analysis demonstrated that at the early stages of irradiation (below 1 × 10 16 ion/cm 2 ) UO 2 films show complete amorphization and beam-induced densification (sintering), resulting in a pore-free disordered film. Prolonged irradiation (5 × 10 16 ion/cm 2 ) is shown to trigger a crystallization process at the surface of the films that moves toward the UO 2 /Al interface, converting the entire amorphous material into a highly crystalline film. This work reports on an entirely different radiation-induced restructuring of the nanoscale UO 2 compared to the coarse-grained counterpart. The preparation of thin UO 2 films deposited on Al substrates fills an area of national need within the stockpile stewardship program of the National Nuclear Security Administration and fundamental research with actinides. Here, the method reported in this work produces pure, robust, and uniform thin-film actinide targets for nuclear science measurements

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

Trailblazing Kr/Xe Separation: The Birth of the First Kr-Selective Material

Efficient separation of Kr from Kr/Xe mixtures is pivotal in nuclear waste management and dark matter research. Thus far, scientists have encountered a formidable challenge: the absence of a material with the ability to selectively adsorb Kr over Xe at room temperature. This study presents a groundbreaking transformation of the renowned metal–organic framework (MOF) CuBTC, previously acknowledged for its Xe adsorption affinity, into an unparalleled Kr-selective adsorbent. This achievement stems from an innovative densification approach involving systematic compression of the MOF, where the crystal size, interparticle interaction, defects, and evacuation conditions are synergistically modulated. The resultant densified CuBTC phase exhibits exceptional mechanical resilience, radiation tolerance, and notably an unprecedented selectivity for Kr over Xe at room temperature. Simulation and experimental kinetic diffusion studies confirm reduced gas diffusion in the densified MOF, attributed to its small pore window and minimal interparticle voids. The lighter Kr element demonstrates facile surface passage and higher diffusivity within the material, while the heavier Xe encounters increased difficulty entering the material and lower diffusivity. This Kr-selective MOF not only represents a significant breakthrough in Kr separation but also demonstrates remarkable processability and scalability to kilogram levels. Furthermore, the findings presented herein underscore the transformative potential of engineered MOFs in addressing complex challenges, heralding a new era of Kr separation technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Scalable Solution-Processed Electrolyte Membranes with Optimized Microstructure for High-Performance Protonic Ceramic Electrochemical Cells

Proton-conducting electrochemical cells (PCECs) are promising for efficient hydrogen production, but achieving dense, uniform, thin electrolyte layers remains a key challenge, particularly for scalable fabrication. Here, we present a solution-processed deposition approach with a mechanistically optimized slurry for uniform electrolyte formation. By tailoring particle size distribution, solid loading, and solvent/additive balance, we regulated wetting behavior and evaporation kinetics of the electrolyte slurry to promote homogeneous electrolyte particle packing. These features facilitate tight grain boundary contact and early stage neck growth during sintering, eliminating residual porosity, and improving mechanical integrity. The resulting ∼15 μm thick electrolyte shows high density, strong electrode adhesion, and stable interfaces outperforming the previously reported spray-based fabricated electrolyte by about 31% at 600 °C in FC mode. Single cells deliver 0.962 W cm –2 at 600 °C in fuel cell mode and 1.31 A cm –2 at 1.3 V in electrolysis mode, maintaining robust performance over 100 h with negligible degradation (≤0.02% h –1 ) in each mode. Scale-up to 2.5 cm diameter substrates confirmed reproducible densification and geometric stability. This work demonstrates a cost-effective, scalable route where control over particle-fluid interactions and drying dynamics enables a superior electrolyte microstructure and high PCEC performance.

dense microstructure↗
DOE OSTI2016

Surface Morphology and Surface Stability against Oxygen Loss of the Lithium-Excess Li 2 MnO 3 Cathode Material as a Function of Lithium Concentration

There is a growing appreciation for the role of surface reactivity and subsequent reconstruction affecting the performance of high-voltage, high-capacity Li-ion cathode materials. In particular, the promising Li-excess materials are known to exhibit significant vulnerability toward oxygen release, which can cause surface densification and impede Li intercalation. In this work, we focus on the end member, Li 2 MnO 3 , as a Li-excess, Mn-rich representative of this class of materials and systematically elucidate all possible stoichiometric low Miller index surfaces with various cation ordering on each surface. We apply surface cation reconstruction rules that depend on the local environment, including target Mn-Li site exchanges, and optimize the resulting surface Li configurations using metadynamics. The equilibrium Wulff shape shows dominant (001), (010) surface facets, and almost all facets exhibit favorable Mn reconstruction. Most importantly, we find that while all equilibrium Li x MnO 3 surfaces become unstable toward oxygen release for x < 1.7, some facets are consistently more resistant than others which may provide a design metric for more stable particle morphologies and enhanced surface oxygen retention.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Synthesis of nanostructured/macroscopic low-density copper foams based on metal-coated polymer core–shell particles [Templated synthesis of nanowalled low-density copper foams]

A robust, millimeter-sized low-density Cu foam with ~90% (v/v) porosity, ~30 nm thick walls, and ~1 μm diameter spherical pores is prepared by the slip-casting of metal-coated polymer core–shell particles followed by a thermal removal of the polymer. In this paper, we report our key findings that enable the development of the low-density Cu foams. First, we need to synthesize polystyrene (PS) particles coated with a very thin Cu layer (in the range of tens of nanometers). A simple reduction in the amount of Cu deposited onto the PS was not sufficient to form such a low-density Cu foams due to issues related to foam collapse and densification upon the subsequent polymer removal step. Precise control over the morphology of the Cu coating on the particles is essential for the synthesis of a lower density of foams. Second, improving the dispersion of PS–Cu particles in a suspension used for the casting as well as careful optimization of a baking condition minimize the formation of irregular large voids, leading to Cu foams with a more uniform packing and a better connectivity of neighboring Cu hollow shells. Finally, we analyzed mechanical properties of the Cu foams with a depth-sensing indentation test. The uniform Cu foams show a significant improvement in mechanical properties (~1.5× modulus and ~3× hardness) compared to those of uncontrolled foam samples with a similar foam density but irregular large voids. As a result, higher surface areas and a good electric conductivity of the Cu foams present a great potential to future applications.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Three-Dimensional Morphological and Chemical Evolution of Nanoporous Stainless Steel by Liquid Metal Dealloying [3D Morphological and Chemical Evolution of Nanoporous Stainless Steel by Liquid Metal Dealloying]

Nanoporous materials, especially those fabricated by liquid metal dealloying processes, possess great potential in a wide range of applications due to their high surface area, bicontinuous structure with both open pores for transport and solid phase for conductivity or support, and low material cost. Here, we used X-ray nanotomography and X-ray fluorescence microscopy to reveal the three-dimensional (3D) morphology and elemental distribution within materials. Focusing on nanoporous stainless steel, we evaluated the 3D morphology of the dealloying front and established a quantitative processing-structure-property relationship at a later stage of dealloying. The morphological differences of samples created by liquid metal dealloying and aqueous dealloying methods were also discussed. Here, we concluded that it is particularly important to consider the dealloying, coarsening, and densification mechanisms in influencing the performance-determining, critical 3D parameters, such as tortuosity, pore size, porosity, curvature, and interfacial shape.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Role of Electrical Double Layer Structure in Ionic Liquid Gated Devices

Ionic liquid gating of transition metal oxides has enabled new states (magnetic, electronic, metal–insulator), providing fundamental insights into the physics of strongly correlated oxides. However, despite much research activity, little is known about the correlation of the structure of the liquids in contact with the transition metal oxide surface, its evolution with the applied electric potential, and its correlation with the measured electronic properties of the oxide. Here, we investigate the structure of an ionic liquid at a semiconducting oxide interface during the operation of a thin film transistor where the electrical double layer gates the device using experiment and theory. We show that the transition between the ON and OFF states of the amorphous indium gallium zinc oxide transistor is accompanied by a densification and preferential spatial orientation of counterions at the oxide channel surface. This process occurs in three distinct steps, corresponding to ion orientations, and consequently, regimes of different electrical conductivity. The reason for this can be found in the surface charge densities on the oxide surface when different ion arrangements are present. Overall, the field-effect gating process is elucidated in terms of the interfacial ionic liquid structure, and this provides unprecedented insight into the working of a liquid gated transistor linking the nanoscopic structure to the functional properties. This knowledge will enable both new ionic liquid design as well as advanced device concepts.

36 MATERIALS SCIENCE↗
DOE OSTI2025

ThO 2 and Th 1– x U x O 2 Nanoscale Materials and Thin Films for Nuclear Science Applications

This study investigates the dynamics and mechanisms of solution combustion synthesis (SCS) for the preparation of nanoscale ThO 2 and Th 1–x U x O 2 materials, utilizing metal nitrates (Th(NO 3 ) 4 and UO 2 (NO 3 ) 2 ) and acetylacetone (C 5 H 8 O 2 ) as reactants dissolved in a 2-methoxyethanol (C 3 H 8 O 2 ) solvent. By combining thermodynamic calculations, dynamic time–temperature profile measurements with differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA), this research reveals how variations in acetylacetone concentration and uranium content influence the structural parameters of the synthesized oxides. The time–temperature measurements show that the heating rate and maximum combustion temperatures are sensitive to acetylacetone concentration. DSC-TGA results indicate shifts in exothermic peak temperatures as the uranium content changes. The complexation between thorium and acetylacetone emerges as a critical factor, impacting combustion parameters and the structural characteristics of the final products. The uniform distribution of Th and U in the Th 1–x U x O 2 solid solution and the formation of nanoscale particles with strained crystallites are considered essential for the low-temperature densification of these materials for nuclear fuel pellet applications. Additionally, high-quality ThO 2 and Th 1–x U x O 2 thin (100–150 nm) films are successfully synthesized via electrospray deposition of combustible solutions followed by a brief period of heat treatment. Furthermore, these films exhibit excellent structural and morphological uniformity, making them ideal candidates for nuclear measurements, irradiation damage studies, and investigations into the physical properties of both pure and mixed oxides.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

High Conductivity Copper–Carbon Nanotube Hybrids via Site-Specific Chemical Vapor Deposition

In this work, site-selective copper nanometal seeding through chemical vapor deposition (CVD) is demonstrated as a viable method in concert with solution electrodeposition of bulk Cu to enhance the electrical conductivity of a porous, low-density (0.12 g/cm 3 , ~9 mg/m) CNT roving. An electrical bias applied directly to the CNT roving promotes Joule heating, which provides the thermal energy necessary for the decomposition of a bis(tert-butylacetoacetato)copper (Cu(tBAOAC) 2 ) precursor. Localized changes in the resistance within the bulk CNT conductor were used to selectively deposit the precursor at thermally active sites, which were evaluated through thermal imaging. The deposition varies from localized Cu deposits at currents producing average temperatures of ~225 °C to a consistent deposition of 10–40 nm Cu particles at applied currents producing average temperatures >300 °C, far above the threshold for the decomposition of the Cu(tBAOAC) 2 precursor. Scanning electron microscopy of a cross section of the roving reveals Cu depositions on the interior of the roving, demonstrating the penetration of the vapor into the CNT network and subsequent decomposition within the roving. A commercial acid-based Cu electroplating solution was used to deposit bulk Cu onto as-prepared and CVD seeded CNT wires, followed by planar densification and H 2 /Ar annealing. The finished conductors with Cu loadings from ~30 to 95% w/w which combine CVD Cu seeding and electrodeposition result in specific conductivity values 3-5 times higher than Cu-CNT conductors produced by electrodeposition alone. Ultimately, a CNT hybrid conductor with 94.2% w/w Cu achieved a specific conductivity of 5632 S m 2 /kg and electrical conductivity of 28.1 MS/m—approaching values previously only seen in metallic conductors. Overall, the present results demonstrate the potential of site-specific CVD toward both seeding metal prior to electroplating and as a possible method toward the enhanced nanometal interconnection of carbon conductors (NICCs).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Role of Amorphous Chains in Nanoplastic Formation from Semicrystalline Polymers

Semicrystalline polymers, e.g., polyethylene terephthalate (PET), release micro- (100 nm to 1 mm) and nanoplastics (up to 100 nm) [MNPL] when they are degraded under quiescent conditions. However, the exact molecular mechanisms leading to material fragmentation into MNPL are unknown. Here, we monitor the evolution of chain molecular weight and the MNPL production kinetics during hydrolysis of PET pellets. We find that only ~0.6% of the amorphous phase ester bonds are hydrolyzed at the onset of MNPL release. Then, by combining a random scission model with measured amorphous spacings, we estimate that only ~15% of the stress transmitters in the amorphous phase, namely, bridges and entangled loops, have failed by this point. Thus, spontaneous fragmentation of the semicrystalline nanostructure occurs despite significant intercrystalline connectivity. We resolve this apparent contradiction by proposing that fragmentation can only occur when progressive tie-chain scission causes the material to undergo the ductile/brittle transition. Mechanistically, we speculate that the internal stresses responsible for material fragmentation are caused by processing (i.e., residual stresses) and/or sample densification induced by chemi-crystallization. We discuss additional factors that may affect our analysis and thus require further investigation, such as skin-core effects, preferential degradation of stress transmitters and/or recrystallization processes.

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

Nano-Plasticity of an Electrified Ionic Liquid/Electrode Interface: Uncovering Hard–Soft Structuring via Controlled Metal Fill Factor

Here, ionic liquids (ILs) nanostructuring at electrified interfaces is of both fundamental and practical interest as these materials are increasingly gaining prominence in energy storage and conversion processes. However, much remains unresolved about IL potential-controlled (re)organization under highly polarized interfaces, mostly due to the difficulty of selectively probing both the distal and proximal surface layers of adsorbed ions. In this work, the structural dynamics of the innermost layer (<10 nm from the surface) were independently interrogated from that of the ionic layers in the sub-surface region (>100 nm from the surface), using an infrared (IR) spectroscopy approach. By tuning the metal fill factor of gold films deposited on conductive metal oxide-modified IR internal reflection elements, the charge-driven (re)structuring of the inner and distal layers of 1-butyl-1-methylpyrrolidinium trifluoromethanesulfonate is unveiled. Within a relatively wide potential region (~±1 V) bounding the potential of zero charges, the ionic liquid is shown to undergo a reversible (i.e., soft) reorganization whereby the innermost layer of anions (cations) is exchanged by a layer of cations (anions). Kinetically unhindered changes in the number density of constituent cations and anions largely follow electrostatic expectations in the subsurface region, whereas the innermost layer exhibits a pronounced hysteresis and very slow relaxation. Under larger negative potential bias, IL restructuring is characterized by a highly irreversible (i.e., hard) and intense interfacial densification of the BMPy + cations, consistent with the formation of nanoscale segregated liquids. The outcomes of this work reveal a plastic IL nanostructuring under a strong electric field.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Direct Evidence for Solid-like Hydrogen in a Nanoporous Carbon Hydrogen Storage Material at Supercritical Temperatures

Here in this paper we report direct physical evidence that confinement of molecular hydrogen (H 2 ) in an optimized nanoporous carbon results in accumulation of hydrogen with characteristics commensurate with solid H 2 at temperatures up to 67 K above the liquid vapor critical temperature of bulk H 2 . This extreme densification is attributed to confinement of 112 molecules in the optimally sized micropores, and occurs at pressures as low as 0.02 MPa. The quantities of contained, solid-like H 2 increased with pressure and were directly evaluated using in situ inelastic neutron scattering and confirmed by analysis of gas sorption isotherms. The demonstration of the existence of solid-like H 2 challenges the existing assumption that supercritical hydrogen confined in nanopores has an upper limit of liquid H 2 density. Thus, this insight offers opportunities for the development of more accurate models for the evaluation and design of nanoporous materials for high capacity adsorptive hydrogen storage.

08 HYDROGEN↗