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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Experimental characterization and potential energy savings of insulated cladding for U.S. residential buildings

This study evaluates a novel insulated cladding composed of foamed cement and vinyl siding that is designed as a retrofit product to enhance thermal performance in U.S. residential buildings. Experimental measurements showed that foamed cement exhibits a thermal conductivity of 0.0334–0.0365 W/m-K (R-value of 4.0–4.3 °F⋅ft 2 ⋅h/BTU), which is significantly higher than that of conventional fiber cement boards. Although mechanical testing confirmed the material’s brittleness and low strength, it also indicated its suitability for nonstructural insulation applications. Water vapor permeability testing demonstrated effective moisture resistance with the polymer coating. To evaluate the insulated cladding’s energy performance, we used the U.S. Department of Energy’s prototype single-family building model and simulated across 50 locations spanning 16 International Energy Conservation Code climate zones. The R-7 (R-value of 7 °F⋅ft 2 ⋅h/BTU per inch) retrofit cladding resulted in heating energy savings up to 275 therms (Fairbanks, AK) and cooling energy savings up to 1,547 kWh (Phoenix, AZ). The energy cost savings varied by region, but the highest annual cost savings ($\$$434/year) were observed in Santa Maria, CA, and the highest annual cost savings percentage (37 %) were noted in Monterey, CA. On a national scale, the insulated retrofit provided an average annual energy cost reduction of 16 %, highlighting the cladding system’s broad applicability and financial viability.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Water, Solute, and Ion Transport in De Novo-Designed Membrane Protein Channels

Biological organisms engineer peptide sequences to fold into membrane pore proteins capable of performing a wide variety of transport functions. Synthetic de novo-designed membrane pores can mimic this approach to achieve a potentially even larger set of functions. Here, in this work, we explore water, solute, and ion transport in three de novo designed β-barrel membrane channels in the 5–10 Å pore size range. We show that these proteins form passive membrane pores with high water transport efficiencies and size rejection characteristics consistent with the pore size encoded in the protein structure. Ion conductance and ion selectivity measurements also show trends consistent with the pore size, with the two larger pores showing weak cation selectivity. MD simulations of water and ion transport and solute size exclusion are consistent with the experimental trends and provide further insights into structure–function correlations in these membrane pores.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Hydrogen Infrastructure Modeling and Optimization

HyET, established in 2008, is a small business developing electro-chemical hydrogen compressors. HyET’s goals are for a low-cost, efficient, high-pressure compressor ready for market and installation into hydrogen infrastructure stations servicing mobile fuel cell applications. NLR has been working on hydrogen infrastructure research for over a decade and includes electrolyzer production via electrolysis, storage, compression, dispensing, safety, and performance validation. Accelerating technologies into the marketplace is one goal of NLR’s hydrogen research. Therefore, HyET and NLR have teamed up to provide one year of support for HyET’s modeling and small-scale experiments optimization efforts for HyET’s next-generation electro-chemical compressor.

08 HYDROGEN↗
DOE OSTI2026

Hygrothermal Performance of Bio-Based Materials in Residential Building Wall Envelope Systems

In the United States, building envelope systems contribute approximately 28% of building energy consumption, with walls being a primary factor. As the construction industry explores new approaches to lower the energy intensity needed to manufacture materials and, in turn, reduce energy consumption, bio-based materials are gaining attention as a promising alternative. While prior studies have demonstrated that bio-based materials can decrease material energy intensity, their long-term hygrothermal behavior within a whole residential wall system is not yet fully understood. This study aims to evaluate the potential of replacing Oriented Strand Board (OSB) and drywall in residential wall systems with bio-based alternatives. The research focuses on two bio-based materials, assessing their hygrothermal performance under Chicago climate condition (Climate Zone 5). To achieve that, a series of laboratory experiments were conducted to measure key properties of the bio-based materials such as thickness, dimensions, density, thermal conductivity (as a function of temperature and humidity), moisture-dependent permeance and water vapor permeability (WVP), and sorption isotherms. These properties were then used in WUFI® simulations to predict the moisture durability of a standard residential wall system in Climate Zone 5. Results show that substituting OSB and drywall with bio-based materials can achieve acceptable moisture durability, effectively mitigating risks of mold growth and structural damage over time.

Palani, Hevar [ORNL] (ORCID:0000000220211994)↗
DOE OSTI2024

A Microwave Photonics Optical Fiber Method for Measuring Distributed Strain for Hydrologic Applications in the Vadose and Saturated Zones

Distributed strain measurements appear to hold significant potential for monitoring hydrologic processes. Coherence-length-gated Microwave Photonics Interferometry (CMPI) is a distributed sensing technique that measures strain in an optical fiber by reading optical interference phase changes in the microwave domain. The technique provides 10nε resolution when cm spatial resolution is applied. CMPI was used to measure the strain caused by small periodic variations in air pressure (25 Pa amplitude and 4 Hz) in a sand-filled laboratory column used to represent barometric loading in the vadose zone. The strain varied as a periodic function with an amplitude that decreased and a phase that increased with depth. The distribution of amplitude and phase of the strain depended on the water saturation, permeability, and presence of a barrier at the top of the sand. A theoretical analysis suggests that the air pressure diffusivity estimated from pressure data is similar to the diffusivity estimated from the distributed strain. These results indicated that the CMPI distributed strain measurement system could be used to improve monitoring and characterization of the vadose and underlying saturated zone.

Hua, Liwei↗
DOE OSTI2025

Comparing Constant and Transient Membrane Transport Parameters for Use in Wave Desalination Models

Directly pressurizing seawater for desalination with reverse osmosis membranes via wave motion is a promising and sustainable method for producing freshwater in coastal regions. However, such a system could result in significant pressure fluctuations and a departure from conventional steady-state desalination operations. This study sought to assess if membrane transport parameters (apparent water and salt permeability) should be modeled as transient or constant in solution–diffusion-based modeling efforts of dynamically operated desalination systems, such as those coupled to wave power. Two approaches were used to model membrane transport parameters: one considered each parameter to be a function of the net driving pressure of the system, and the other assumed they were constant across all conditions. A pilot-scale system was used to conduct steady-state and controlled ramping experiments. Data from steady-state experiments were used to calculate transient and constant transport parameters. Parameter combinations were used in a simulation model to predict water flux and effective permeate salinity, and simulation outcomes were compared against experimental ramping results. The transient relationships for both water and salt permeability produced the most accurate results for water flux and comparable results for effective permeate salinity. Development of such relationships would be unique to a specific system but could be valuable in modeling wave-driven desalination systems across the wide range of operating conditions they experience.

13 HYDRO ENERGY↗
DOE OSTI2025

Anion exchange membranes based on (3-acrylamidopropyl) trimethylammonium chloride (APTA) and phenyl Acrylate: Impact of crosslinker and crosslinker content on physiochemical properties and transport behavior of acetate and formate

CO 2 reduction cells are innovative devices that convert CO 2 into valuable chemicals, such as formate (OFm - ) and acetate (OAc - ), at the cathode. One of the key challenges in these devices is the development of ion exchange membranes that enable the transport of charge carriers between electrodes while minimizing the transfer of CO 2 reduction products. This study focuses on the preparation and characterization of crosslinked anion exchange membranes (AEMs) made of phenyl acrylate (PA) and (3-acrylamidopropyl) trimethylammonium chloride (APTA), crosslinked with either poly(ethylene glycol) diacrylate (PEGDA) or N,N’-methylenebisacrylamide (MBAA). Here, the membranes are characterized to understand their physiochemical properties and corresponding transport behavior through characterization of water volume fraction, mechanical properties, ionic conductivity, ion exchange capacity, water contact angle, glass transition temperature as well as their permeability and solubility to formate and acetate. MBAA crosslinked membranes exhibit higher Young’s modulus and lower strain at break compared to PEGDA-crosslinked membranes, which is attributed to their shorter chain length. Within a series of membranes of varied comonomer content, for either PEGDA or MBAA as crosslinker, permeabilities generally follow free volume theory (increasing permeability with increasing water content where water content increases with decreasing crosslinker content). Interestingly, for membranes with different crosslinkers but analogous water volume fraction significant differences (∼2 orders of magnitude) in permeability are observed which we attribute to differences in chain mobility as characterized through the glass transition temperature.

25 ENERGY STORAGE↗
DOE OSTI2024

The Impact of Wettability on the Co-moving Velocity of Two-Fluid Flow in Porous Media

Abstract The impact of wettability on the co-moving velocity of two-fluid flow in porous media is analyzed herein. The co-moving velocity, developed by Roy et al. (Front Phys 8:4, 2022), is a novel representation of the flow behavior of two fluids through porous media. Our study aims to better understand the behavior of the co-moving velocity by analyzing simulation data under various wetting conditions. We analyzed 46 relative permeability curves based on the Lattice–Boltzmann color fluid model and two experimentally determined relative permeability curves. The analysis of the relative permeability data followed the methodology proposed by Roy et al. (Front Phys 8:4, 2022) to reconstruct a constitutive equation for the co-moving velocity. Surprisingly, the coefficients of the constitutive equation were found to be nearly the same for all wetting conditions. On the basis of these results, a simple approach was proposed to reconstruct the relative permeability of the oil phase using only the co-moving velocity relationship and the relative permeability of the water phase. This proposed method provides new information on the interdependence of the relative permeability curves, which has implications for the history matching of production data and the solution of the associated inverse problem. The research findings contribute to a better understanding of the impact of wettability on fluid flow in porous media and provide a practical approach for estimating relative permeability based on the co-moving velocity relationship, which has never been shown before.

Engineering↗
DOE OSTI2025

Coupled Thermo-Hydrological-Mechanical-Chemical Behavior of Anisotropic Granite for Geologic Disposal of High-Level Radioactive Waste: A Core-Scale Laboratory Investigation

The coupled thermo-hydrological-mechanical-chemical (THMC) behavior of rock within an Excavation Damaged Zone (EDZ) is critical for the safety and long-term performance of a geological repository for high-level radioactive wastes. While many laboratory experiments have been conducted to investigate EDZ rocks, the flow and deformation characteristics resulting from anisotropic rock textures and microcrack distribution under triaxial loading and elevated temperatures remain poorly understood. Particularly, cracks at various scales serve as fast paths for fluid flow and solute transport and present as focal points of mechanical weakness, which complicate the coupled THMC processes in anisotropic EDZ rocks and challenge modeling predictions. Here, in this study, a series of core-scale experiments was conducted on three granite samples under repository-relevant conditions. These rock samples were obtained from the Grimsel Underground Research Laboratory (URL), featured by anisotropic minerals (represented by bedding layers) and microcrack distributions and coarse cm-scale grain sizes. During the experiments, samples were subjected to an elevated temperature at 90 °C and different triaxial loading conditions either by radial (normal to bedding layers) or axial (parallel to bedding layers) compaction. Water was injected into the samples, and the rock permeability evolutions and effluent water chemistry were monitored closely. For intact samples, thermal expansion of minerals at 90 °C resulted in a large, 75% irreversible permeability reduction and rock strengthening under radial compaction, while thermal impact was limited to a 15% permeability reduction under axial compaction. In contrast, for a sample containing open cracks, the growth of fractures during the experiment resulted in an abrupt permeability increase and fast failure at 90 °C. The effluent water chemistry indicates much more considerable mineral dissolution from large shear sliding than that in rocks dominated by mechanical compaction. These results helped better understand the coupled THMC processes in anisotropic rocks containing cracks, evaluate the behaviors of EDZ rocks, and predict the long-term evolution of EDZ for the performance of the repositories.

Coupled THMC processes↗
DOE OSTI2026

Stereochemically‐Controlled Fluorinated Copolymers for Selectively Permeable Barrier Applications

Selective oxygen permeability coupled with low water vapor transmission is essential for biomedical and packaging applications requiring controlled oxygen flux under humid conditions. However, most high‐performance barrier polymers depend on perfluoroalkyl substances (PFAS), whose persistence and regulatory restrictions limit their long‐term applicability. We designed a series of stereocontrolled thiol‐yne‐based polyesters, including both fluorinated and non‐fluorinated variants, for selective oxygen permeability with considerable water barrier performance. Tailoring polymer crystallinity and morphology tuned both oxygen transport and mechanical properties. Fluorinated polymers demonstrated enhanced hydrophobicity and water resistance while maintaining oxygen diffusivity within a range relevant to oxygen‐sensing applications. Structure–property relationships were elucidated through small‐ and wide‐angle X‐ray scattering, revealing semi‐crystalline domains influenced by fluorine content and dithiol chain length. Barrier performance was rigorously evaluated via water vapor transmission rate and dynamic vapor sorption, showing reduced water uptake with increasing dithiol monomer length and crystallinity. In conclusion, this work introduces a PFAS‐free alternative to conventional barrier materials and establishes a tunable materials platform with potential relevance for biomedical devices and packaging systems requiring controlled oxygen permeability.

36 MATERIALS SCIENCE↗
DOE OSTI2024

3-D Geological Modeling for Numerical Flow Simulation Studies of Gas Hydrate Reservoirs at the Kuparuk State 7-11-12 Pad in the Prudhoe Bay Unit on the Alaska North Slope

Accurate reservoir evaluation requires reliable three-dimensional (3-D) geological models. Here, this study conducted 3-D geological modeling for numerical flow simulation of the B1 sand gas hydrate reservoir at the Kuparuk State 7-11-12 pad, Prudhoe Bay Unit, Alaska North Slope. The model integrates well logs, core, and seismic data to address spatial heterogeneity in geological structures and reservoir properties. Two modeling types were performed: structural framework modeling and petrophysical property modeling. For structural framework modeling, seismic data and well log markers were used to reproduce subsurface structures characterized by a normal fault system. A volume-based modeling algorithm and stair-stepping grid were applied. The resulting 3-D model comprised 2,640,000 grid cells across 264 layers, including seven fault grids. For petrophysical property modeling, total porosity was initially modeled using sequential Gaussian simulation with collocated cokriging. To reproduce the upward coarsening of the B1 sand, upscaled log-derived total porosity and a three-dimensional (3-D) trend depicting total porosity variation were used as primary and secondary data, respectively. Gas hydrate saturation distribution was modeled similarly, with secondary data from estimated porosity distribution and seismic-derived acoustic impedance map enhancing accuracy. Results indicate higher gas hydrate saturation in the upper part of the B1 sand and areas with higher acoustic impedance. Intrinsic permeability was modeled from the total porosity and clay-bound water volume, and effective permeability was derived from the gas hydrate saturation and intrinsic permeability distributions based on the “Tokyo model”. Effective permeability distributions were influenced by the total porosity, gas hydrate saturation, and intrinsic permeability. Within the same layer, higher gas hydrate saturation leads to decreased effective permeability. In total, 100 sets of multiple scenarios were prepared, providing input data for dynamic flow simulations to evaluate the effects of lateral heterogeneity in reservoir properties and the hydraulic characteristics of faults on production behavior for preassessment before the long-term production test.

58 GEOSCIENCES↗
DOE OSTI2024

Quantitative Determination of Metal Ion Adsorption on Cellulose Nanocrystals Surfaces

Nanocellulose is a bio-based material that holds significant potential in the field of water purification. Of particular interest is their potential use as a key sorbent material for the removal of metal ions from solution. However, the structure of metal ions adsorbed onto cellulose surfaces is not well understood. The focus of this work is to determine quantitatively the three-dimensional distribution of metal ions of different valencies surrounding negatively charged carboxylate functionalized cellulose nanocrystals (CNCs) using anomalous small-angle X-ray scattering (ASAXS). These distributions can affect the water and ionic permeability in these materials. The data show that increasing the carboxylate density on the surface of the CNCs from 740 to 1100 mmol/kg changed the nature of the structure of the adsorbed ions from a monolayer into a multilayer structure. The monolayer was modeled as a Stern layer around the CNC nanoparticles, whereas the multilayer structure was modeled as a diffuse layer on top of the Stern layer around the nanoparticles. Within the Stern layer, the maximum ion density increases from 1680 to 4350 mmol of Rb + /(kg of CNC) with the increase in the carboxylate density on the surface of the nanoparticles. Additionally, the data show that CNCs can leverage multiple mechanisms, such as electrostatic attraction and the chaotropic effect, to adsorb ions of different valencies. By understanding the spatial organization of the adsorbed metal ions, the design of cellulose-based sorbents can be further optimized to improve the uptake capacity and selectivity in separation applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Water content modulation enables selective ion transport in 2D MXene membranes

Separation membranes are critical for a range of processes, including but not limited to water desalination, chemical and fuel production, and recycling and recovery applications. Fundamentally, there are intrinsic trade-offs between permeability and selectivity. Local water organization and content can impact membrane structure (short- and long-range) in laminar transition metal carbide (MXene) membranes and impact selective ion permeation. Intercalation of chaotropic cesium (Cs + ) ions within the layers reduces the water content in the membrane and at the surface which cannot be found in the intercalation of other ions. Additionally, 3D imaging using focused ion beam scanning electron microscopy showed fewer defects in the Cs-MXene membrane, due to reduced local water content, leading to more efficient ion sieving. X-ray diffraction and density functional theory calculations on the nanochannel structure demonstrated that the chaotropic ion results in the smallest nanochannel size and induces a stronger resistance to water-induced nanochannel swelling. With a narrower nanochannel, the Cs-MXene membrane limits ion transport pathways, resulting in more selective transport of lithium over other metal cations, as evidenced in both experiment and molecular dynamics simulations. In conclusion, our findings highlight the potential for controlling the structural organization of 2D MXene membranes to enable on-demand transport of ions for diverse applications.

36 MATERIALS SCIENCE↗
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 OSTI2026

Upcycling waste PET into functional multiblock copolymers through controlled macromolecular design

Poly(ethylene terephthalate) (PET) oligomers derived from glycolysis depolymerization were converted into multiblock copolymers through diisocyanate-mediated coupling with dihydroxy-terminated oligomers, enabling precise control over copolymer sequence distribution, connectivity, and mechanical performance. Here, we demonstrate that telechelic PET oligomers isolated directly from depolymerized consumer waste can serve as reactive building blocks for the formation of segmented multiblock copolymers, eliminating the need to revert to monomeric feedstocks. Dihydroxy-terminated PET oligomers (Mw ≈ 8 kg mol−1) were coupled with poly(ethylene oxide) (PEO, Mw ≈ 4 kg mol−1) to form PET-PEO multiblock copolymers with high molar mass (Mw ≈ 160 kg mol−1). We further show that the timing of end-capping reactions provides a key control parameter that governs the competition between chain extension and termination, thereby dictating the resulting multiblock architecture and molecular-weight evolution. Evaluation of their mechanical properties reveals that virgin PET exhibits high modulus (∼3 GPa) and strength (43 MPa) but limited ductility (<10% elongation). In contrast, PET–PEO multiblock copolymers retain comparable tensile strength (44 MPa), albeit while exhibiting dramatically enhanced ductility (>90% elongation), forming tougher materials with efficient stress transfer between the rigid PET domains and the flexible PEO segments. When incorporated into PET/PEO blends at low loadings, the multiblock copolymers serve as effective compatibilizers, yielding materials with an intermediate modulus (1.1–1.2 GPa) and improved elongation compared to uncompatibilized blends. Furthermore, the presence of PEO blocks increases water uptake and gas permeability relative to virgin PET, reflecting the tunability of molecular transport through the copolymeric blocks. To our knowledge, this represents the first report of PET–PEO multiblock copolymers derived from post-consumer PET for gas transport applications. These results demonstrate that multiblock copolymer formation from telechelic PET oligomers provides a versatile platform for tailoring the mechanical and transport behavior of polyester-based materials through controlled macromolecular design and establishes a generalizable strategy for transforming consumer plastic waste into functional segmented polymers without requiring complete depolymerization to monomers.

Watson-Sanders, Shelby [Department of Chemistry, U↗
DOE OSTI2025

Ab Initio Design of High-Entropy Thermal/ Environmental Barrier Coatings

Next generation thermal/environmental barrier coatings (TEBC) require carefully balancing various properties including phase stability, thermal conductivity, coefficient of thermal expansion (CTE), mechanical properties, and resistance against hot corrosion and water vapor recession. This work mainly focuses on rapid design of cost-effective high entropy rare-earth disilicates and aluminum garnets to protect SiC-based ceramic matrix composites and nickel-based superalloys in the hot section of gas turbine engines using density functional theory methods. Our calculations identify several low-cost high entropy TEBC exhibiting ultralow thermal conductivity at 1500 K and desirable CTE while maintaining good mechanical properties, including Er1/2Y3/4Yb3/4Si2O7, Gd1/4Er1/4Y3/4Yb3/4Si2O7, Eu1/4Er1/4Y3/4Yb3/4Si2O7, and (Y1/4Gd1/4Er1/4Yb1/4)3Al5O12. This work also aims to gain fundamental understanding of oxygen diffusion in model disilicates. Minimizing oxidizer (such as water vapor and oxygen) permeability through the EBC layer can significantly decrease the growth rate of thermally grown oxide and extend the service life of the coating system. Oxygen diffusion mechanisms including formation energy of defects under varying oxygen conditions and defect migration energy barriers will be presented.

coefficient of thermal expansion↗
DOE OSTI2023

Core-scale numerical simulation and comparison of breakdown of shale and resulting fractures using sc-CO 2 and water as injectants

Supercritical carbon dioxide (sc-CO 2 ) is an alternative to water for stimulation of low permeability systems such as shale gas and geothermal resources. Previously core-scale experimental studies have compared the behavior of CO 2 to water injection for sample breakdown. Due to differences in experimental setup and core sample preparation, inconsistent or even apparently contradictory conclusions have resulted. To reconcile this contradiction, a phase-field numerical model is applied to understand hydraulic fracturing experiments using Green River shale found in the literature. The finite element numerical model incorporates a rate-dependent phase-field fracture model developed separately to describe fracture initiation and growth. We investigate the impact of various material and fluid properties on the resulting fractures. Most importantly, we study the effect of fluid properties and boundary conditions on the breakdown pressure, including the direction of the resulting fracture plane. Model results predict that (1) sc-CO 2 injection in the laboratory may result in greater breakdown pressure than that of water under no-flow boundary conditions because lower viscosity sc-CO 2 may result in pressure build up at the core boundary that opposes fracture initiation and (2) lower viscosity sc-CO 2 also produces fast-propagating fractures that are less influenced by the bedding plane on their resulting fracture topology. Here our model offers a straightforward explanation and reconciliation of existing experimental observations, as well as a means to extrapolate to new conditions. Exploration of field-scale conditions suggests less pronounced or no elevation in breakdown pressure when sc-CO 2 is injected because the pressure build up effect at the system boundary is significantly less or absent at field length scales.

42 ENGINEERING↗
DOE OSTI2023

Few-cycle atomic layer deposition to nanoengineer polybenzimidazole for H 2 /CO 2 separation

Atomic layer deposition (ALD) creates uniform sub-nanometer films on a variety of surfaces and nanopore walls and has been used to modify polymers to improve surface affinity towards specific molecules, solvent resistance, and barrier properties to gases and vapors. Here, for the first time, we demonstrate that few-cycle ALD can be used to engineer functional polymers at a sub-nanometer scale to improve both molecular size-sieving ability and counterintuitively, gas permeability. Particularly, 1-cycle ALD treatment of polybenzimidazole (PBI) by sequential exposure to trimethylaluminum (TMA) and water vapor remarkably increases H 2 permeability by 120% - 270% and H 2 /CO 2 selectivity by 30% at 35–200 °C. The ALD not only deposits an AlOx layer on the surface but also enables the TMA to infiltrate and react with the bulk PBI to form an AlO x network, disrupting polymer chain packing and increasing chain rigidity. The membrane exhibits excellent stability when challenged with simulated syngas, overcoming the permeability/selectivity tradeoff for H 2 /CO 2 separation. In conclusion, this study showcases a facile and scalable way of engineering polymeric membranes at a sub-nanometer level to improve molecular separation performance.

36 MATERIALS SCIENCE↗