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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Nickel Sulfide-Nanowire-Filled Carbon Nanotubes as an Efficient Overall Water Splitting Electrocatalyst

Pursuing stable, efficient, and cost-effective nanostructured bifunctional electrocatalysts is crucial for advancing the electrochemical water splitting process and enabling clean hydrogen energy production. In recent years, considerable efforts have focused on developing highly efficient and durable commercial electrocatalysts for the oxygen evolution reaction (OER) and overall water splitting (OWS). This research introduces an OWS electrocatalyst-nickel sulfide-filled carbon nanotubes grown on a carbon cloth substrate (Ni 3 S 2 @CNTs/CC), synthesized via a one-step in-situ process. The synergistic integration of metal sulfide (Ni 3 S 2 ) and carbon nanotubes provides abundant active sites for catalytic reactions, ensuring a robust composite nanostructure with enhanced durability. Furthermore, the electrocatalytic performance for OER and OWS has been significantly improved by a simple acid treatment to the electrocatalysts, which introduces physical and chemical defects, particularly oxygen functional groups (the acid-treated sample is termed as Ni 3 S 2 @CNTs/CC-AT). As OER electrocatalysts, Ni 3 S 2 @CNTs/CC and Ni 3 S 2 @CNTs/CC-AT present overpotentials of 304 and 200 mV, respectively, for achieving a current density of 10 mA/cm 2 in the OER process. Furthermore, for complete water splitting in 1.0 M KOH electrolyte, Ni 3 S 2 @CNTs/CC and Ni 3 S 2 @CNTs/CC-AT exhibit potentials of 1.63 and 1.44 V, respectively, to achieve a current density of 10 mA/cm 2 when employed as both anode and cathode. Moreover, Ni 3 S 2 @CNTs/CC and Ni 3 S 2 @CNTs/CC-AT demonstrate durable nature for 22 and 20 h durability in the OER and OWS processes, respectively, offering a promising alternative to ruthenium- and iridium-based electrocatalysts for electrochemical hydrogen production through water splitting. In conclusion, the in-situ synthesis method and acid treatment strategy described in this research are promising approaches to fabricating high-performance encapsulated carbon-nanotube-based electrocatalysts.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Rigid Supramolecular Aramid Nanotubes as Catalyst Supports

Solution‐phase heterogeneous catalysts benefit from nanoscale dimensions, which maximize specific surface area and enhance catalytic activity. However, the ease of recovering such nanocatalysts depends on the design of the support materials, which are often particle‐like. Rigid 1D nanomaterials are proposed as supports that can enhance separability while offering high volumetric specific surface area for greater catalyst loading and activity. Here, aramid amphiphiles (AAs) are designed to spontaneously self‐assemble in water into high‐aspect‐ratio supramolecular nanotubes with tunable surface chemistry. These AA nanotubes exhibit high persistence lengths (P = 750 ± 340 µm) and mechanical stiffnesses (3 N/m). Incorporating surface thiol groups enables immobilization of catalytic gold nanoparticles. The resulting AA nanotube‐gold nanoparticle complexes exhibit high catalytic activity, efficient recoverability via simple microfiltration, and sustained reusability over ten reaction cycles. This study demonstrates the utility of molecular self‐assembled 1D nanomaterials as versatile scaffolds for the reuse and recovery of nanoscale catalysts.

1D nanomaterials↗
DOE OSTI2020

Size- and Temperature-Dependent Suppression of Phonon Thermal Conductivity in Carbon Nanotube Thermoelectric Films

Heat transport in nanoscale carbon materials such as carbon nanotubes and graphene is normally dominated by phonons. Here, measurements of in-plane thermal conductivity, electrical conductivity, and thermopower are presented from 77–350 K on two films with thickness <100 nm formed from semiconducting single-walled carbon nanotubes. These measurements are made with silicon–nitride membrane thermal isolation platforms. The two films, formed from disordered networks of tubes with differing tube and bundle size, have very different thermal conductivity. One film matches a simple model of heat conduction assuming constant phonon velocity and mean free path, and 3D Debye heat capacity with a Debye temperature of 770 K. The second film shows a more complicated temperature dependence, with a dramatic drop in a relatively narrow window near 200 K where phonon contributions to thermal conductivity essentially vanish. This causes a corresponding large increase in thermoelectric figure-of-merit at the same temperature. A better understanding of this behavior can allow significant improvement in thermoelectric efficiency of these low-cost earth-abundant, organic electronic materials. Finally, heat and charge conductivity near room temperature is also presented as a function of doping, which provides further information on the interaction of dopant molecules and phonon transport in disordered nanotube films.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Effect of Electrochemical Oxidation on Physicochemical Properties of Fe-Containing Single-Walled Carbon Nanotubes

Metal catalysts are necessary for fabricating carbon nanotubes, but are often considered impurities in the end products, and arduous steps are used to remove catalyst residues from the nanotube structure. However, as metals can be electrocatalytic, instead of removing them we can utilize their role in detection of analgesics. Herein, we study the physicochemical properties of Fe-containing single-walled carbon nanotubes (SWCNTs), and the effect of simple oxidative pretreatment on them. We show that a gentle anodic pretreatment i) increased the amount of oxidized Fe nanoparticles, most likely exhibiting phases Fe3O4 and Fe2O3 and ii) effectively removed disordered carbonaceous material from SWCNT bundles surfaces. Pretreatment had only a marginal effect on sensitivity towards analgesics. However, interestingly, selectivity of Fe-SWCNTs towards paracetamol and morphine could be modified with pretreatment. Through this kind of in-depth investigation, we can, to a certain extent, correlate various material properties of SWCNTs with the observed electrochemical performance. We show this approach allows us to evaluate what factors in SWCNTs truly affect the electrochemical detection of biomolecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Origin of the background absorption in carbon nanotubes: Phonon-assisted excitonic continuum

Excitonic effects in 1D semiconductors can be qualitatively different from those in higher dimensions. In particular, the Sommerfeld factor, the ratio of the above-band-edge excitonic continuum absorption to free electron-hole pair generation, has been shown to be less than 1 (suppressed) in 1D systems while it is larger than 1 (enhanced) in 2D and 3D systems. Strong continuum suppression indeed exists in semiconducting single-wall carbon nanotubes, a prototypical 1D semiconductor. However, absorption spectra for carbon nanotubes are typically fit with a combination of Lorentzians and a polynomial background baseline with little physical meaning. We performed absorption measurements in aligned single-chirality (6,5) carbon nanotube films. The obtained spectra were fit with our theoretical model obtained by solving the Boltzmann scattering equation involving fifty-nine different types of transitions among three different types of quasiparticles. Specifically, we took into account microscopic interactions between photons, phonons, and excitons, including their dispersions, which unambiguously demonstrated that the background absorption is due to phonon-assisted transitions from the semiconductor vacuum to finite-momentum continuum states of excitons. The excellent agreement we obtained between experiment and theory suggests that our numerical technique can be seamlessly extended to compute strongly out-of-equilibrium many-body dynamics and time-resolved spectra in low-dimensional materials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Supersonic hot jet ablative testing and analysis of boron nitride nanotube hybrid composites

Boron nitride nanotubes (BNNTs) are high-strength, high-modulus nanotubes with high thermal and oxidative stabilities. Two hybrid composites were prepared with satin weave carbon fiber (CF) and resole-type phenolic resin: one with surface layers of BNNTs and one with alternating interlayers of BNNTs. The samples were subjected to hot jet tests that simulate realistic high-pressure-temperature conditions to understand the behavior of BNNTs under high-pressure erosion. Adding BNNTs to CF/phenolic laminates enhanced the ablation resistance by reinforcing the char material and mitigated localized thermal damage. Hybrid laminates exhibited up to 14% lower weight loss, 55% increase in flexural modulus, higher thermal diffusivity, and improved char yield and microstructure compared to CF/phenolic samples. The surface layer hybrid had many surviving nanotubes reinforcing the char and crystalline oxide structures that could mitigate further oxygen diffusion. Further, various characterization methods were used to deduce possible mechanisms and their products, indicating that BNNTs could serve as growth templates for direct crystalline boron oxide formation. Overall, hybrid BNNT/CF/phenolic laminates displayed better ablation resistance and favorable microstructure evolution under high-pressure conditions.

42 ENGINEERING↗
DOE OSTI2023

Computational and Experimental Determination of the Properties, Structure, and Stability of Peptoid Nanosheets and Nanotubes

Peptoids (N-substituted glycines) are a group of highly controllable peptidomimetic polymers. Amphiphilic diblock peptoids have been engineered to assemble crystalline nanospheres, nanofibrils, nanosheets, and nanotubes with biochemical, biomedical, and bioengineering applications. The mechanical properties of peptoid nanoaggregates and their relationship to the emergent self-assembled morphologies have been relatively unexplored and are critical for the rational design of peptoid nanomaterials. In this work, we consider a family of amphiphilic diblock peptoids consisting of a prototypical tube-former (Nbrpm6Nc6, a NH 2 -capped hydrophobic block of six N-((4-bromophenyl)methyl)glycine residues conjugated to a polar NH 3 (CH 2 ) 5 CO tail), a prototypical sheet-former (Nbrpe6Nc6, where the hydrophobic block comprises six N-((4-bromophenyl)ethyl)glycine residues), and an intermediate sequence that forms mixed structures ((NbrpeNbrpm)3Nc6). We combine all-atom molecular dynamics simulations and atomic force microscopy to determine the mechanical properties of the self-assembled 2D crystalline nanosheets and relate these properties to the observed self-assembled morphologies. We find good agreement between our computational predictions and experimental measurements of Young’s modulus of crystalline nanosheets. A computational analysis of the bending modulus along the two axes of the planar crystalline nanosheets reveals bending to be more favorable along the axis in which the peptoids stack by interdigitation of the side chains compared to that in which they form columnar crystals with π-stacked side chains. Here, we construct molecular models of nanotubes of the Nbrpm6Nc6 tube-forming peptoid and predict a stability optimum in good agreement with experimental measurements. A theoretical model of nanotube stability suggests that this optimum is a free energy minimum corresponding to a “Goldilocks” tube radius at which capillary wave fluctuations in the tube wall are minimized.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Single-Walled Zeolitic Nanotube–Poly(oxazoline) Nanocomposites as Heterogeneous Catalysts for Acid–Base Cascade Reactions

Zeolites with a unique, 1-dimensional form factor were recently discovered − zeolite nanotubes (ZNTs). Here we describe the synthesis and characterization of NaH-ZNTpoly( oxazoline) composites targeting liquid-phase acid−base cascade catalysis. NaH-ZNT, a one-dimensional zeolite analogue with mesoporosity (3−4 nm) associated with nanotubes and inherent Brønsted acid sites associated with the microporous zeolite domains, is functionalized with poly(oxazoline)-based triblock copolymers with varying molecular weights (3−17 kDa). The composites are characterized using N2 sorption, STEM, FTIR, and elemental analysis, confirming successful grafting and preservation of the zeolite nanotube structure. The composites’ catalytic performance is evaluated through separate acid and base reactions, followed by a combined cascade of a deacetalization−Knoevenagel condensation for the synthesis of chalcone compounds. High initial reaction rates are demonstrated, but modest overall cascade product formation rates are observed, attributed to interactions between Brønsted acid sites and base amine groups that occur in the polymer-grafted systems. Physical mixtures of NaH-ZNT-SH and poly(oxazoline)s, lacking covalent linkages between ZNT and the polymer, support this supposition. This work demonstrates the potential of NaH-ZNT-poly(oxazoline) composites for liquid-phase cascade catalysis for synthesizing compounds of potential medicinal interest, highlighting the benefits of the grafting-to approach as well as the need for further optimization of the catalytic performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Targeting One- and Two-Dimensional Ta–Te Structures via Nanotube Encapsulation

Fine control over material synthesis on the nanoscale can facilitate the stabilization of competing crystalline structures. In this report we demonstrate how carbon nanotube reaction vessels can be used to selectively create one-dimensional TaTe 3 chains or two-dimensional TaTe 2 nanoribbons with exquisite control of the chain number or nanoribbon thickness and width. Transmission electron microscopy and scanning transmission electron microscopy reveal the detailed atomic structure of the encapsulated materials. Complex superstructures such as multichain spiraling and apparent multilayer moirés are observed. The rare 2H phase of TaTe 2 (1H in monolayer) is found to be abundant as an encapsulated nanoribbon inside carbon nanotubes. The experimental results are complemented by density functional theory calculations for the atomic and electronic structure, which uncovers the prevalence of 2H-TaTe 2 due to nanotube-to-nanoribbon charge transfer and size confinement. Calculations also reveal new 1T' type charge density wave phases in TaTe 2 that could be observed in experimental studies.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Fast Water Transport through Subnanometer Diameter Vertically Aligned Carbon Nanotube Membranes

Small-diameter carbon nanotubes (CNTs) have outstanding mass-transport properties, especially enhanced water flow. Here, we report on water transport through the first macroscopic membranes with vertically oriented, subnanometer (0.8 nm) CNT pores, made by a scalable, solution-based method with electric-field alignment of bulk-grown single-wall CNTs (SWCNTs). After plasma etching to open pores, vertically aligned CNTs served as the primary pathway for liquid-water transport. The CNT membranes showed fast pressure-driven water transport, with up to 105-fold enhancement compared to no-slip Hagen–Poiseuille flow. Comparing 0.8 and 3 nm CNTs, we found that the hydrodynamic slip lengths increased with decreasing nanotube diameter, reaching 8.5 μm for the smaller-diameter CNTs. Here, the results suggest that pressure-driven water transport in small-diameter CNTs is increasingly dominated by entrance resistance, thus becoming independent of nanotube length. Scalably fabricated membranes incorporating vertically aligned subnanometer CNT pores could have applications in water filtration, desalination, and energy harvesting.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Electrochemical Evolution of Fuel Cell Platinum Nanocatalysts on Carbon Nanotubes at the Atomic Scale

The evolution of Pt nanoparticles supported on carbon nanotubes is analyzed before and after electrochemical potential cycling, using identical location aberration-corrected transmission electron microscopy, for applications in proton exchange membrane fuel cells. The work is focused on the half-cell accelerated stress test protocol of potential cycles ranging between 1.0 and 1.5 V RHE to represent the start-up/shutdown settings of a fuel cell vehicle. The research work reveals that particle migration and coalescence are key mechanisms for a reduction in the Pt nanoparticle surface area at the early stages of potential cycling. Further, the mechanism for particle movement and coalescence is attributed to carbon corrosion, catalyzed either by Pt or by bulk corrosion of the carbon nanotubes. Carbon corrosion results in the appearance of carbon vacancies at the carbon nanotube/Pt nanoparticle interface during cycling, as well as the formation of edge and surface defects. During cycling, the concentration of the dissoluble Pt increases. As soon as a significant amount is reached, subnanometer/atomic clusters emerge on the carbon nanotube support, which can move and coalesce, or redeposit on the surface of larger particles through Ostwald ripening.

25 ENERGY STORAGE↗
DOE OSTI2020

Strong Differential Monovalent Anion Selectivity in Narrow Diameter Carbon Nanotube Porins

Inner pores of carbon nanotubes combine extremely fast water transport and ion selectivity that could potentially be useful for high-performance water desalination and separation applications. In this study, we used dye-quenching halide assays and stopped-flow spectrometry to determine intrinsic permeability of three small monovalent halide anions (chloride, bromide, iodide) and one pseudohalide anion (thiocyanate) through narrow 0.8 nm-diameter carbon nanotube porins (CNTPs). These measurements revealed unexpectedly strong differential ion selectivity with permeabilities of different ions varying by up to two orders of magnitude. Removal of the negative charge from the nanotube entrance increased anion permeability by only a relatively small factor, indicating that electrostatic repulsion was not a major determinant of CNTP selectivity. First principle molecular dynamics simulations revealed that the origin of this strong differential ion selectivity is partial dehydration of anions upon entry into the narrow CNTP channels.

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

Driving Force Dependent Photoinduced Charge Transfer Dynamics in Polymer-Wrapped Semiconducting Single-Walled Carbon Nanotubes

Here, we investigate the thermodynamic driving-force dependences of photoinduced charge separation (CS) and subsequent charge transfer dynamics in single-walled carbon nanotube (SWNT)–perylenediimide (PDI) donor–acceptor (D–A) superstructures. Pump–probe spectroscopy reveals that [SWNT (•+)n ]-(PDI –• ) n CS states form on an ∼100 fs time scale following photoexcitation; these dynamics are invariant across an ∼400 mV driving force range, indicating that SWNT hole polaron formation time scales are determined by nanotube lattice and solvent relaxation. These CS states feature SWNT hole polarons adjacent to (geminate) and nearby (nongeminate) PDI radical anions. Analysis of the free energy dependence for charge recombination (CR) of [SWNT •+ ] geminate -(PDI –• ) CS states highlights an ∼2 meV value for D–A electronic coupling (HAB) and ∼0.93 eV for the total reorganization energy (λ T ). A corresponding driving force dependence of the CR dynamics for [SWNT •+ ] nongeminate -(PDI –• ) CS states indicates a diminished H AB value (∼0.6 meV) and a larger λ T (∼1.1 eV), consistent with larger transfer distances. SWNT excitons that persist following photoinduced CS drive photooxidation of PDI –• components of [SWNT (•+)n ]-(PDI –• ) n CS states ( 1 SWNT* + PDI •– → PDI + SWNT •– ); this reaction manifests a significantly reduced λ T value (∼0.67 eV) as the initially prepared SWNT reduced state bears the character of a conduction band injected electron ([SWNT •– ] CB ). This reaction thus gives rise to relaxed, nongeminate SWNT electron and hole polarons on the same nanotube; these polarons react on a 10 2 ps time scale independent of the electronic structure of these SWNT-PDI superstructures.

anions↗
DOE OSTI2022

Photochemical spin-state control of binding configuration for tailoring organic color center emission in carbon nanotubes

Abstract Incorporating fluorescent quantum defects in the sidewalls of semiconducting single-wall carbon nanotubes (SWCNTs) through chemical reaction is an emerging route to predictably modify nanotube electronic structures and develop advanced photonic functionality. Applications such as room-temperature single-photon emission and high-contrast bio-imaging have been advanced through aryl-functionalized SWCNTs, in which the binding configurations of the aryl group define the energies of the emitting states. However, the chemistry of binding with atomic precision at the single-bond level and tunable control over the binding configurations are yet to be achieved. Here, we explore recently reported photosynthetic protocol and find that it can control chemical binding configurations of quantum defects, which are often referred to as organic color centers, through the spin multiplicity of photoexcited intermediates. Specifically, photoexcited aromatics react with SWCNT sidewalls to undergo a singlet-state pathway in the presence of dissolved oxygen, leading to ortho binding configurations of the aryl group on the nanotube. In contrast, the oxygen-free photoreaction activates previously inaccessible para configurations through a triplet-state mechanism. These experimental results are corroborated by first principles simulations. Such spin-selective photochemistry diversifies SWCNT emission tunability by controlling the morphology of the emitting sites.

36 MATERIALS SCIENCE↗
DOE OSTI2021

DECaNT: Simulation tool for diffusion of excitons in carbon nanotube films

In this work, we present the numerical tool DECaNT (Diffusion of Excitons in Carbon NanoTubes) that simulates exciton transport in thin films of carbon nanotubes. Through a mesh of nanotubes generated using the Bullet Physics C++ library, excitons move according to an ensemble Monte Carlo algorithm, with the scattering rates that account for tube chirality, orientation, and distance. We calculate the diffusion tensor from the position–position correlation functions and analyze its anisotropy and dependence on the film composition, morphology, and defect density.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Molecular aspect ratio effect on axial thermal transport in solution-spun carbon nanotube fibers

Neat, densely packed, and highly aligned carbon nanotube fibers (CNTFs) have appealing room-temperature axial thermal conductivity (⁠k⁠) and thermal diffusivity (⁠α⁠) for applications in lightweight heat spreading, flexible thermal connections, and thermoelectric active cooling. Although CNTFs are regularly produced from different input carbon nanotubes (CNTs), prior work has not quantified how the CNT molecular aspect ratio r (i.e., molecular length-to-diameter ratio) influences k and in well-aligned, packed CNTFs. Here, we perform self-heated steady-state and three-omega thermal measurements at room temperature on CNTF suspended in vacuum. Our results show that k increases from 150 to 380 W / mK for viscosity-averaged molecular aspect ratios increasing from r = 960 to 5600 and nanotube diameters of ~2 nm, which we attribute to the effects of thermal resistances between CNT bundles. CNTFs made with varying volume fraction Φ of constituent high-r and low-r CNT have properties that fall within or below the typical macroscopic rule-of-mixtures bounds. The thermal diffusivity α scales with k, leading to a sample-averaged volumetric heat capacity of 1.5 ± 0.3 MJ / m 3 K⁠. This work's findings that fibers made from longer CNT have larger k and α at room temperature motivate further investigation into thermal transport in solution-spun CNTF.

42 ENGINEERING↗
DOE OSTI2024

Field-Emission Properties of Vertically Aligned Carbon Nanotube Cathodes of Varying Geometries

This work characterizes the bulk emission properties of carbon nanotube (CNT) forest cathodes fabricated with various geometries. Geometries explored include dense nanotube forests of varying height grown on 5×5 mm silicon (Si) substrates and discrete, patterned CNT pillars fabricated using UV photolithography. Dense forests heights ranged from 526 μ m to 1.41 mm, with packing fraction for dense forest calculated to be 4e10 nanotubes/cm2 based on an average nanotube separation distance of 100 nm for fixed growth dense forests. Patterned sample micro pillar heights ranged from 47 to 393 μ m with pillar widths on tested samples ranging from 250 to 270 μ m . Properties explored include emission current, turn-on field, and emission current performance over time. A parallel plate electron beam diode with a 100- μ m A-K gap and an automated test apparatus were developed to provide a configurable experiment that provides accurate and repeatable measurements for dc, dc sweep, and timed performance testing. Operating voltages for the voltage sweeps spanned from 0 to −350 V. Furthermore, testing has shown evidence of a hysteresis effect on the emission current tied to the applied field history as well as shifting of the turn-on field magnitude throughout the testing period, suggesting a conditioning effect during use. Three separate emission regions in the I–V curves during sweep testing have also been observed. In the geometric study, dense forests and patterned samples were sweep tested up to a peak applied voltage of −250 V, with the taller samples generally performing better. Currents produced in the geometric study from the dense forest emitters ranged from 36.8 to 572.34 μ A , with current densities ranging from 15 to 2.29 mA/cm2. Currents produced from the patterned micropillar emitters ranged from 39.4 to 317.51 μ A , with current densities ranging from 67 to 3 mA/cm2. DC time testing s...

36 MATERIALS SCIENCE↗
DOE OSTI2020

A Review of Inkjet Printed Graphene and Carbon Nanotubes Based Gas Sensors

Graphene and carbon nanotube (CNT)-based gas/vapor sensors have gained much traction for numerous applications over the last decade due to their excellent sensing performance at ambient conditions. Inkjet printing various forms of graphene (reduced graphene oxide or modified graphene) and CNT (single-wall nanotubes (SWNTs) or multiwall nanotubes (MWNTs)) nanomaterials allows fabrication onto flexible substrates which enable gas sensing applications in flexible electronics. This review focuses on their recent developments and provides an overview of the state-of-the-art in inkjet printing of graphene and CNT based sensors targeting gases, such as NO 2 , Cl 2 , CO 2 , NH 3 , and organic vapors. Moreover, this review presents the current enhancements and challenges of printing CNT and graphene-based gas/vapor sensors, the role of defects, and advanced printing techniques using these nanomaterials, while highlighting challenges in reliability and reproducibility. The future potential and outlook of this rapidly growing research are analyzed as well.

flexible electronics↗