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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Bayesian estimations of orientation distribution functions from small-angle scattering enable direct prediction of mechanical stress in anisotropic materials

Properties of soft materials are influenced by their anisotropic structuring under nonequilibrium fields. Although anisotropic structure-property relationships have been extensively explored theoretically, comparison to experiments requires determination of the microstructural orientation probability distribution function (OPDF) of microstructural elements. Small angle scattering (SAS) measurements encode information about the OPDF, but tools to navigate this connection are incomplete. Here, we develop and validate an explicit framework to link arbitrary OPDFs to SAS measurements. Specifically, we propose, validate, and apply a method, maximum a posteriori scattering inference (MAPSI), whereby the OPDF may be obtained from SAS measurements using a Bayesian estimation method. Using this method, we obtain estimates of the full 3D OPDF for two model semidilute fd-virus (rodlike) dispersions at concentrations that are approximately equal to and twice the overlap concentration. From the OPDF, we calculate its second and fourth moments and compare these to predictions for a dilute suspension of rigid rods and to a recent theory for semidilute suspensions. Finally, we use both the theoretical and measured moments to calculate the stress, both for dilute and semidilute suspensions. These predictions are not only compared to each other, but also to measured values of the shear stress, and point to new insights into the behavior of suspensions of highly elongated particles in the transition between dilute and semidilute behavior. We also use this new framework to provide perspective on the connection between scalar parameterizations of scattering and the OPDF that have frequently been used in the past. Here, the new tools developed in this work provide an unprecedented path toward experimental validation of dynamical theories of rodlike colloids and polymers, and for measurement of nonequilibrium structures and stresses of other complex fluids and soft materials with SAS.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Tuning 3-D Nanomaterial Architectures Using Atomic Layer Deposition to Direct Solution Synthesis

The ability to synthesize nanoarchitected materials with tunable geometries provides a means to control their functional properties, with applications in biological, environmental, and energy fields. To this end, various bottom-up and top-down synthesis processes have been developed. However, many of these processes require prepatterning or etching steps, making them challenging to scale-up to complex, nonplanar substrates. Furthermore, the ability to integrate nanomaterials into hierarchical arrays with precise control of feature spacing and orientation remains a challenge. One approach to overcome these patterning challenges is the use of surface modification layers to guide the resulting geometry of nanomaterial architectures grown from the substrate. A powerful strategy to accomplish this is what we will refer to as “surface-directed assembly,” where the resulting geometric parameters (feature size, shape, orientation) are predetermined by the initial surface layer. In particular, the use of Atomic Layer Deposition (ALD) to form a surface layer, followed by solution-based growth processes, has the ability to synthesize architected structures with tunable geometries on complex, nonplanar surfaces. Over the past decade, we have reported a series of studies where surface-directed assembly is used to synthesize ZnO nanowires (NWs) on top of a variety of substrates. In this case, a thin film of ZnO is deposited onto the substrate using ALD, which can guide the NW diameter, spacing, and angular orientation with respect to the substrate by controlling epitaxial relationships. Furthermore, we have shown that by depositing a submonolayer overcoat of a secondary material (e.g., amorphous TiO 2 ), nucleation sites are partially blocked, which can further tune the spacing between nanowires while minimizing changes to their other geometric properties. This approach can be used to generate multilevel hierarchical structures, such as hyperbranched NW arrays with tunable control of each level of hierarchy using ALD. Finally, we have demonstrated that the tunable control of geometric parameters can be scaled-up to curved, nonplanar substrates. This highlights the power of ALD to conformally and uniformly deposit the seed layers on complex substrates with subnanometer precision. To complement these seeded hydrothermal approaches, we expanded this strategy to include conversion chemistry of the initial ALD seed layers. For example, by replacing ZnO with Al 2 O 3 as the seed layer without changing the hydrothermal growth conditions, Al–Zn layered-double hydroxide nanosheets can be formed instead of nanowires. In another example of conversion chemistry, a solution anion-exchange process was used to incorporate sulfur into ALD metal oxide films. In both of these conversion processes, the properties of the initial ALD film enabled tuning of the resulting nanostructure geometry. In this Account, we describe the use of ALD to guide the growth of diverse nanomaterial systems, with tunable control over their geometry and composition. We further show how these approaches can be used to tune functional properties for a range of applications, including superomniphobic surfaces, antibiofouling coatings, and photocatalysis. In conclusion, we conclude with an outlook on how the combination of ALD and solution synthesis can enable future directions in scalable nanomanufacturing to overcome the limitations of traditional top-down and bottom-up approaches.

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

Microstructural Assessment of Molybdenum Disulfide Coatings Using Nanoindentation Hardness

MoS 2 coatings are used extensively in aerospace and defense applications due to their ultralow friction and high wear resistance. Burnished and resin-bonded MoS 2 coatings are commonly used in these applications due to simplicity in deposition and history of use, despite issues with consistency in coating properties and performance. Physical vapor deposition (PVD) of MoS 2 thin films has emerged as a process alternative in the past 50 years, promising far greater control over film structure and composition but at a greater cost. Despite PVD’s benefits, hesitance to adoption persists in high-consequence applications, not only due to increased costs but variability in resulting coating properties. These variations in properties and subsequent performance are in part due to the complexity of the PVD process and the sensitive interplay between coating process-structure-property relationships. This work aims to demystify the remaining uncertainties of the process-structure-property relationships in PVD MoS 2 . The microstructure and mechanical and tribological properties of 61 different PVD pure MoS 2 coatings are examined herein. Emphasis has been placed on developing performance-based (i.e., hardness, modulus) metrics that can assess microstructural changes (density, orientation, and crystallinity) and be utilized to accelerate process development and coating optimization. Relationships established within suggest that nanoindentation hardness can be used to infer coating performance (i.e., wear rate) and properties (i.e., density, crystalline texture, and stoichiometry). Furthermore, this work demonstrates that PVD MoS 2 coatings close to the theoretical density of MoS 2 consistently have the best tribological performance and can be reliably identified by their hardness.

MoS2↗
DOE OSTI2024

Solvent-Dependent Dynamics of Cellulose Nanocrystals in Process-Relevant Flow Fields

Flow-assisted alignment of anisotropic nanoparticles is a promising route for the bottom-up assembly of advanced materials with tunable properties. While aligning processes could be optimized by controlling factors such as solvent viscosity, flow deformation, and the structure of the particles themselves, it is necessary to understand the relationship between these factors and their effect on the final orientation. In this study, we investigated the flow of surface-charged cellulose nanocrystals (CNCs) with the shape of a rigid rod dispersed in water and propylene glycol (PG) in an isotropic tactoid state. In situ scanning small-angle X-ray scattering (SAXS) and rheo-optical flow-stop experiments were used to quantify the dynamics, orientation, and structure of the assigned system at the nanometer scale. The effects of both shear and extensional flow fields were revealed in a single experiment by using a flow-focusing channel geometry, which was used as a model flow for nanomaterial assembly. Due to the higher solvent viscosity, CNCs in PG showed much slower Brownian dynamics than CNCs in water and thus could be aligned at lower deformation rates. Moreover, CNCs in PG also formed a characteristic tactoid structure but with less ordering than CNCs in water owing to weaker electrostatic interactions. The results indicate that CNCs in water stay assembled in the mesoscale structure at moderate deformation rates but are broken up at higher flow rates, enhancing rotary diffusion and leading to lower overall alignment. Albeit being a study of cellulose nanoparticles, the fundamental interplay between imposed flow fields, Brownian motion, and electrostatic interactions likely apply to many other anisotropic colloidal systems.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Identification of mechanisms driving heterogeneous void growth in ductile aluminum

Void growth plays a central role in ductile fracture, yet the specific mechanisms that control this remain obscure. Classical models, such as those proposed by Rice and Tracey in 1969, are able to capture average rates of void growth, but cannot capture the heterogeneity of individual void growth. Building on recent work, the present study employs laboratory-based diffraction contrast tomography and in-situ x-ray computed tomography to investigate the effect of grain structure and other microstructural factors on void growth in an Al-2219 alloy. Crystal plasticity finite element (CP-FE) modeling is used alongside experimental data to evaluate the contributions of local mechanical states, grain orientation, grain size, and neighboring microstructural features. No strong linear relationships are found with any of the considered descriptors and void growth rate. Potential complex nonlinear relationships are explored with the use of a random forest regression model, which identifies initial void volume, void aspect ratio, local normal stress state, local shear stress state, and local equivalent plastic strain (EQPS) as features that most improve void growth rate predictions. The combination of these analyses suggests that these features should be prioritized to improve models of void growth.

Diffraction contrast tomography (DCT)↗
DOE OSTI2024

Structural, electronic, and optical-absorption properties of 2D Si thin films

Recent experimental studies highlighted the potential of thin-film crystalline silicon (Si) for high-efficiency solar cells. Using density functional theory, we investigated 2D Si thin films across various orientations, thicknesses, and surface structures to elucidate their structure–property relationships. Through surface-energy calculations and Wulff construction, we determined the crystal habit of Si, which aligns with available experimental observations. Electronic-structure calculations underscored the critical role of valence saturation on surfaces in enabling semiconducting behavior in Si thin films, essential for optical applications. From optical-absorption calculations, we identified the surface index exhibiting the highest absorption coefficients for thin films Si solar cell applications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Microhardness Distribution of Long Magnesium Block Processed through Powder Metallurgy

Powder metallurgy is a popular method of making raw powders into specific shaped samples. However, the pressure distribution and the microhardness difference within the sample are nonnegligible and unclear when the sample is long or exceeds a specific size. In this study, the long magnesium blocks, with a ratio of about 2.8 between the sample height and the sample side length, are successfully synthesized under three uniaxial and two biaxial conditions. Then, the sample hardness values on the outer surface and the center plane are tested to study the microhardness distribution. The modified analytical expression indicates that the normal pressure exponentially decreases along the compression direction, which is consistent with the hardness distribution trend. Because higher pressure leads to a more compact arrangement of the powders, more metal bonds are formed after sintering. During the first pressing, the sidewall pressure makes the surface hardness higher. The secondary reverse compression mainly improves the bottom and core hardness due to the re-orientation and re-location of the powders. The obtained relationship between the applied pressure and the hardness distribution is instructive in predicting and improving the sample quality.

Wang, Jiaying↗
DOE OSTI2020

Lattice strains and diffraction elastic constants of cubic polycrystals

In situ synchrotron X-ray and neutron diffraction experiments provide a powerful approach to measure lattice strains in bulk polycrystalline materials. They are being increasingly used for quantitative characterization of microscale deformation within and between grains and phases. Here we use a self-consistent micromechanics model to obtain a general analytic solution of the grain-level lattice strains and diffraction elastic constants for a broad class of elastically isotropic polycrystals with cubic crystal symmetry. This analytic solution reveals a direct linear relationship between the reciprocal of the elastic diffraction constant and the orientation index parameter along the direction of any diffraction vector, including tensile loading and transverse directions. The straightforward numerical implementation of this solution provides diffraction elastic constants for 26 representative cubic polycrystals. Finally, analytic solutions of this kind can serve to benchmark in situ diffraction measurements of lattice strains and also facilitate high-throughput studies of microscale stresses and diffraction elastic constants in polycrystalline materials.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Understanding three-dimensionally interconnected porous oxide-derived copper electrocatalyst for selective carbon dioxide reduction

In this study, we have investigated a hierarchical CuO-derived inverse opal (CuO-IO) catalyst with high CO selectivity up to 80–90% and minimal H 2 evolution at moderate potentials for CO 2 electroreduction. The three-dimensionally (3D) structured, porous catalyst was composed of small CuO nanoparticles and exhibited a peak CO faradaic efficiency (FE) of 72.5% (±1.8), complete suppression of H 2 formation, and good stability over 24 hours operation at –0.6 V versus the reversible hydrogen electrode (RHE). In situ Raman, X-ray absorption spectroscopy and X-ray diffraction measurements indicated reduction of the catalyst into metallic Cu0 oxidation state with dominant Cu(111) orientation under electrocatalytic conditions. We suggest that rapid depletion of CO 2 and protons at the highly roughened catalyst surface likely increased the local pH during the electrolysis. The combination of C 1 favoring Cu(111) surfaces and reduced local proton/CO 2 availability facilitated selective conversion of CO 2 into CO and reduced H 2 and C 2 products. Our work provides additional understanding of the structure–property relationships of 3D porous electrocatalysts for CO 2 reduction applications by evaluating the crystallographic orientation, oxidation state, and crystallite size of a CO-selective CuO-IO catalyst under realistic working conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Spatial description of dislocation nucleation in the shock response of single-crystal aluminum

Nonequilibrium molecular dynamics simulations of shock loaded single-crystal Al in the $\langle$100$\rangle$, $\langle$110$\rangle$, $\langle$111$\rangle$, and $\langle$123$\rangle$ orientations are conducted to study elastic and plastic shockwave formation and details associated with dislocation activity. A computer vision-based approach is implemented to capture the presence of dislocations and describe their spatial characteristics in the zone of nucleation behind the propagating shockwave. The methodology developed relies on the sequences of images extracted during shock loading that show dislocation activity within a cross section of the sample. Results reveal that the spacing between activated slip systems is orientation dependent and exhibits a modest reduction for the $\langle$100$\rangle$ and $\langle$111$\rangle$ orientations as shock pressure increases. Comparisons are made to existing theoretical models. Such relationships between shock pressure and dislocation activity, extracted from molecular dynamics simulations, can be used to inform higher length scale simulations or modeling of dislocation-based plasticity during shock.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Process-dependent anisotropic thermal conductivity of laser powder bed fusion AlSi10Mg: impact of microstructure and aluminum-silicon interfaces

Purpose AlSi10Mg alloy is commonly used in laser powder bed fusion due to its printability, relatively high thermal conductivity, low density and good mechanical properties. However, the thermal conductivity of as-built materials as a function of processing (energy density, laser power, laser scanning speed, support structure) and build orientation, are not well explored in the literature. This study aims to elucidate the relationship between processing, microstructure, and thermal conductivity. Design/methodology/approach The thermal conductivity of laser powder bed fusion (L-PBF) AlSi10Mg samples are investigated by the flash diffusivity and frequency domain thermoreflectance (FDTR) techniques. Thermal conductivities are linked to the microstructure of L-PBF AlSi10Mg, which changes with processing conditions. The through-plane exceeded the in-plane thermal conductivity for all energy densities. A co-located thermal conductivity map by frequency domain thermoreflectance (FDTR) and crystallographic grain orientation map by electron backscattered diffraction (EBSD) was used to investigate the effect of microstructure on thermal conductivity. Findings The highest through-plane thermal conductivity (136 ± 2 W/m-K) was achieved at 59 J/mm 3 and exceeded the values reported previously. The in-plane thermal conductivity peaked at 117 ± 2 W/m-K at 50 J/mm 3 . The trend of thermal conductivity reducing with energy density at similar porosity was primarily due to the reduced grain size producing more Al-Si interfaces that pose thermal resistance. At these interfaces, thermal energy must convert from electrons in the aluminum to phonons in the silicon. The co-located thermal conductivity and crystallographic grain orientation maps confirmed that larger colonies of columnar grains have higher thermal conductivity compared to smaller columnar grains. Practical implications The thermal properties of AlSi10Mg are crucial to heat transfer applications including additively manufactured heatsinks, cold plates, vapor chambers, heat pipes, enclosures and heat exchangers. Additionally, thermal-based nondestructive testing methods require these properties for applications such as defect detection and simulation of L-PBF processes. Industrial standards for L-PBF processes and components can use the data for thermal applications. Originality/value To the best of the authors’ knowledge, this paper is the first to make coupled thermal conductivity maps that were matched to microstructure for L-PBF AlSi10Mg aluminum alloy. This was achieved by a unique in-house thermal conductivity mapping setup and relating the data to local SEM EBSD maps. This provides the first conclusive proof that larger grain sizes can achieve higher thermal conductivity for this processing method and material system. This study also shows that control of the solidification can result in higher thermal conductivity. It was also the first to find that the build substrate (with or without support) has a large effect on thermal conductivity.

Engineering↗
DOE OSTI2022

Inelastic Neutron Scattering from Thin Film Biaxially Oriented Polyethylene Terephthalate

Recent interest in emerging processes for polymer manufacturing and bio-based chemistries for direct chemical recycling/upcycling has motivated new research focused on a deeper understanding of atomic-scale polymer properties and how they influence macroscopic phenomena. Uncovering the fundamental properties of polymers that give rise to macroscopic behavior could enable new pathways for improved recyclability or utilization of alternative “greener” polymer analogues. In this study, the neutron vibrational spectrum was measured for a film of biaxially oriented polyethylene terephthalate (BoPET) using inelastic neutron scattering (INS), to investigate the relationship between the structure and dynamics of a widely used polymer. Compared to conventional spectroscopic techniques, the use of INS is advantageous for polymeric materials due to the absence of selection rules (i.e., all transitions are allowed), broad-band energy range, and considerable sensitivity to hydrogen modes. In order to distinguish the vibrational modes caused by trans and gauche rotational isomerism, the normal modes of vibration were calculated from a density functional theory-optimized structure of crystalline PET (cPET), representative of the all-trans state, and compared with INS from “highly crystalline” PET powder. Although in- and out-of-plane wagging of hydrogens on the ring structure exhibit significant contribution to both BoPET and cPET spectra, the wagging, rocking, and twisting modes of hydrogen on the ethylene glycol group are, in most cases, conformation-specific. These results were further rationalized by investigating the role of hyperconjugation in stabilizing both conformations using the natural bond order method. Here, through comparison of experimental and calculated INS results, this work provides the fundamental basis for discovering the role of structure and dynamics in shaping the macroscopic properties of PET and polymer analogues.

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

Examining United States Nuclear Weapon Educational Initiatives_A Quantitative Research Study on the Satisfaction of Participants Within the Nuclear Weapons Community

This study focused on a few United States nuclear weapons educational initiatives exploring six classroom environment factors that may or may not influence Satisfaction in a virtual or live classroom environment within the nuclear weapons community. The research explored Personalization, Involvement, Student Cohesiveness, Task Orientation, Innovation, and Individualization. The United States nuclear weapons community needed to attract new and talented individuals to the nuclear weapons profession. This study added to the nuclear weapons community by researching factors that may aid academic instructors, and curriculum developers create new and inventive ways of incorporating these factors into existing or new nuclear weapons educational courses. Convenience sampling was the data collection method used to gather quantitative research data. One hundred and seven voluntary participants utilized the College and University Classroom Environment Inventory with the Los Alamos National Laboratory's consent. There is not much concurrent research on Satisfaction within the live and virtual classroom environment. This research was vital for future research into how to increase participant satisfaction. The study provided the nuclear weapons community with grounded analysis to help create and guide new classes and course creation, possibly increasing Satisfaction in a live and virtual classroom environment. According to binary logistic regression, there was a statistically significant relationship among the dependent variable, Satisfaction, and two independent variables, Involvement, and Task Orientation in the classroom environment within the nuclear weapons community. Future nuclear educational programs may increase Satisfaction in the classroom environment by increasing participant Involvement and Task Orientation within a class using the CUCEI as a reference.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2023

Towards the design of nature-inspired materials: Impact of complex pore morphologies via higher-order homogenization

Even though the development of novel materials that mimic nature is widely used in a variety of engineering and scientific fields, the relationship between effective material properties and underlying, often complex pore morphology is still not fully understood. To address this knowledge gap and accelerate the development of novel nature-inspired materials, this paper adopts a higher-order asymptotic homogenization method to numerically investigate the effect of complex micropore morphology on the effective mechanical properties of a porous system. Specifically, we create unique pore morphologies with varying levels of complexity that serve as a more realistic representation of natural materials. Here, we then use the second-order homogenization method to capture the role of pore size, shape, orientation, and distribution on effective properties. By creating different pore morphologies, we systematically studied the relationship between morphology and effective mechanical properties. The results highlight the necessity of higher-order parameters to fully capture the role of realistic pore morphologies on effective mechanical properties and provide a path forward in the design of nature-inspired materials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Comparative Evaluation of Control-Oriented Heavy Duty Vehicle Air Drag Coefficient Models

Heavy-duty vehicles (HDVs) are a significant source of fuel consumption and greenhouse gas emissions, prompting solutions such as HDV platooning to mitigate these negative impacts through air drag reduction. The intervehicle distance in an HDV platoon needs to be carefully selected, such that the platoon-level energy efficiency and safety considerations can be well balanced. Underlying this problem lies in accurately modeling the relationship between HDV air drag coefficient and intervehicle distance. Through comprehensive evaluation and comparison, we analyze five control-oriented HDV air drag coefficient models, including the polynomial model, rational polynomial model, rational model, semi-quadratic model, and ridge model. Leveraging Scipy Curve-Fit toolbox and our previously compiled air drag coefficient datasets, we optimally identify the parameters inside each model. The calibrated models are then thoroughly evaluated via five complementary metrics. The comparison results reveal that the semi-quadratic model has the highest overall performance, while the widely adopted rational model only exhibits suboptimal performance.

Best, Micah↗
DOE OSTI2020

High-Energy X-Ray Diffraction Microscopy in Materials Science

High-energy diffraction microscopy (HEDM) is an implementation of three-dimensional X-ray diffraction microscopy. HEDM yields maps of internal crystal orientation fields, strain states, grain shapes and locations as well as intragranular orientation distributions, and grain boundary character. Because it is nondestructive in hard materials, notably metals and ceramics, HEDM has been used to study responses of these materials to external fields including high temperature and mechanical loading. Currently available sources and detectors lead to a spatial resolution of ~1 μm and an orientation resolution of <0.1°. With the penetration characteristic of high energies ( E ≥ 50 keV), sample cross-section dimensions of ~1 mm can be studied in materials containing elements across much of the Periodic Table. This review describes hardware and software associated with HEDM as well as examples of applications. Overall, these applications include studies of grain growth, recrystallization, texture development, orientation gradients, deformation twinning, annealing twinning, plastic deformation, and additive manufacturing. We also describe relationships to other X-ray-based methods as well as prospects for further development.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Nematic cell alignment directs calcium waves in an epithelial monolayer

Tissues rely on supracellular signals to coordinate their cells over a long range. Two such tissuescale cues are calcium waves and patterns of cell-cell alignment or nematic order. During wound healing, for example, calcium waves propagate across a tissue to guide directed cell migration and reepithelialization. Defects in long-range cell-cell alignment, or nematic orientation, can act to localize morphogenetic events in a tissue. Although these two cues have been considered in isolation, we demonstrate a relationship in epithelial tissue between long-range calcium signaling and the cell’s nematic order: The speed of a wound-induced calcium wave depends monotonically on the angle between the wave vector and cell axis, with maximal wave speed occurring perpendicular to the tissue’s orientation. Including anisotropic di↵usive coupling between cells in a canonical reactiondi↵usion model recapitulates our measured calcium wave dynamics. Our model demonstrates how orientation defects can desynchronize information propagation across a tissue. A calcium wave front is bent around nematic defects, therefore cells the same distance from a wound can receive the calcium signal at di↵erent times. Our work elucidates how spatial patterns in global cell alignment can control collective communication via calcium signaling during development, wound healing, and disease.

Winterstrain, Annemarie C. [Brandeis University, W↗
DOE OSTI2024

Unusual Electrical Conductivity Enhancement in Stable n‐Type Carbon Nanotube Networks

Organic molecule-doped n-type single-walled carbon nanotube (SWCNT) networks are promising candidates for advanced energy applications, such as flexible thermoelectrics and photovoltaics. Yet charge transport in n-type SWCNTs is limited by two factors: i) charge localization impeding inter-tube transport caused by disordered mesostructure of randomly oriented SWCNTs and ii) reduction of charge carrier concentration driven by oxidation. Herein, studied the relationship between the mesostructure and thermoelectric properties of n-type SWCNTs obtained by surfactant-functionalization and polymer-dopant grafting. Surprisingly, the electrical conductivity of the polymer-doped SWCNTs keeps increasing with increasing polymer content, even after the saturation of carrier concentration, resulting in 12x higher conductivity on polymer-doping compared to surfactant-functionalization. While hopping transport typically dominates in disordered systems, it is shown that a bridging effect from the polymer causes unusual band-like conduction in polymer-doped SWCNTs. Additionally, since surfactants are essential to prevent oxidation and retain n-type over a long duration, shows that SWCNTs obtained through a dual-functionalization strategy using both polymer-dopant and surfactant, demonstrates a long-term stable high n-type thermoelectric power factor, when the surfactant amount is carefully controlled. Besides thermoelectrics, the findings are of general interest to developing stable and conductive n-type SWCNTs for various energy and electronic applications.

carbon nanotubes↗