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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Soliton formation and topology manipulation of coupled spins via ultrafast re-magnetization

The major goal of the project was to explore the properties of magnetic order driven far out of equilibrium by optical excitations. These include fundamental questions related to the interplay of magnetic, structural and electronic degrees of freedom in materials that are optically excited. These problems break down in short term quenching of the magnetization as a results of the energy of the optical pulse studying how the energy of the optical pulse and the angular momentum of the magnetization flow between the different degrees of freedom. This is followed by the longer time re-emergence of the magnetism as the system cools. Within this goal we explored the formation of solitons, both with and without non-trivial topology, via rapid re-magnetization processes after optical-driven ultrafast demagnetization. Guided by theory, we predict that turbulence and modulational instabilities will drive the formation of solitons, including dispersive shock waves, magnon droplets, and skyrmions. In the case of topological defect formation, i.e. skyrmion generation, related processes have long been predicted based on general principles of symmetry-breaking phase transitions; the density of topological defects in a long-range-ordered phase can be controlled by varying the quench rate through the second-order phase transition, i.e. the Kibble-Zurek (KZ) mechanism. We, more broadly, had the goal to study a range of other emergent magnetic behaviors after optical excitation. While great attention has been given to ultrafast demagnetization, less is known of the subsequent spin dynamics and coupling to the lattice. What is increasingly appreciated is that ultrafast demagnetization leads to spin currents that can carry angular momentum from the rapidly demagnetized sample. These spin currents appear in many ways but fundamentally controls demagnetization, drives interactions between regions of the material, and control the spin resulting structure. They can be probed many ways including THz emission which, in turn, gives insight into the demagnetization processes. Simultaneously if there is magneto-elastic coupling ultrafast demagnetization can drive structural excitations that are not expected from thermal energy added to the lattice. We explored a range of complex phenomena that arise from photo-excitation of magnetic systems with the coupling of electronic, magnetic and structural degrees of freedom. We have made a number of fundamental discoveries that are reflected in our publications list with additional work still being prepared for publication. Highlights of this work include (i) ultra-efficient, nonlinear THz surface acoustics (ii) spin-current-mediated rapid magnon localization and coalescence, (iii) spin-wave soliton formation in ferromagnetic FePt nanoparticles, (iv) dynamic phonon coupling in elemental antiferromagnetic Cr, (v) THz emission from Co/Pt bilayers and FeRh/Pt bilayers, (vi) theoretical investigation of spin hydrodynamics, solitons and shock waves, and (vii) ultrafast perturbation of magnetic domains by optical pumping.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Transport of polymer-coated metal–organic framework nanoparticles in porous media

Abstract Injecting fluids into deep underground geologic structures is a critical component to development of long-term strategies for managing greenhouse gas emissions and facilitating energy extraction operations. Recently, we reported that metal–organic frameworks are low-frequency, absorptive-acoustic metamaterial that may be injected into the subsurface to enhance geophysical monitoring tools used to track fluids and map complex structures. A key requirement for this nanotechnology deployment is transportability through porous geologic media without being retained by mineral-fluid interfaces. We used flow-through column studies to estimate transport and retention properties of five different polymer-coated MIL-101(Cr) nanoparticles (NP) in siliceous porous media. When negatively charged polystyrene sulfonate coated nanoparticles (NP-PSS-70K) were transported in 1 M NaCl, only about 8.4% of nanoparticles were retained in the column. Nanoparticles coated with polyethylenimine (NP-PD1) exhibited significant retention (> 50%), emphasizing the importance of complex nanoparticle-fluid-rock interactions for successful use of nanofluid technologies in the subsurface. Nanoparticle transport experiments revealed that nanoparticle surface characteristics play a critical role in nanoparticle colloidal stability and as well the transport.

58 GEOSCIENCES↗
DOE OSTI2020

Performance and Wake Characterization of a Model Hydrokinetic Turbine: The Reference Model 1 (RM1) Dual Rotor Tidal Energy Converter

The mechanical power and wake flow field of a 1:40 scale model of the US Department of Energy’s Reference Model 1 (RM1) dual rotor tidal energy converter are characterized in an open-channel flume to evaluate power performance and wake flow recovery. The NACA-63(4)-24 hydrofoil profile in the original RM1 design is replaced with a NACA-4415 profile to minimize the Reynolds dependency of lift and drag characteristics at the test chord Reynolds number. Precise blade angular position and torque measurements were synchronized with three acoustic Doppler velocimeters (ADV) aligned with each rotor centerline and the midpoint between the rotor axes. Flow conditions for each case were controlled to maintain a hub height velocity, uhub= 1.04 ms−1, a flow Reynolds number, ReD= 4.4 × 105, and a blade chord length Reynolds number, Rec= 3.1 × 105. Performance was measured for a range of tip-speed ratios by varying rotor angular velocity. Peak power coefficients, CP= 0.48 (right rotor) and CP= 0.43 (left rotor), were observed at a tip speed ratio, λ= 5.1. Vertical velocity profiles collected in the wake of each rotor between 1 and 10 rotor diameters are used to estimate the turbulent flow recovery in the wake, as well as the interaction of the counter-rotating rotor wakes. The observed performance characteristics of the dual rotor configuration in the present study are found to be similar to those for single rotor investigations in other studies. Similarities between dual and single rotor far-wake characteristics are also observed.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2023

Pressure fields produced by single-bubble collapse near a corner

Damage produced by repeated bubble collapse to neighboring rigid objects in hydraulic systems is an important consequence of cavitation. Although bubble collapse near a single wall has received significant attention in the past, few studies exist on the dynamics of bubbles collapsing near a corner, i.e., two flat rigid surfaces intersecting at a right angle. In this work we quantify the pressure fields produced by a single bubble collapsing near two perpendicular rigid walls. Using a high-order accurate shock- and interface-capturing method to solve the three-dimensional compressible Navier-Stokes equations for gas and liquid flows, we simulate the dynamics of a single bubble collapsing at different initial stand-off distances from the two walls. In contrast to a bubble collapsing near a single wall, the collapse of bubbles within a critical stand-off distance is not symmetric about the bisecting plane due to the interaction between the bubble and the second wall. The second wall affects the pressure produced during the collapse in the following ways: (i) For bubbles initially located sufficiently close to both walls, the reentrant jet produced during collapse no longer points in the direction normal to the closest wall but at an angle toward the corner, (ii) the part of the emitted shock with the highest amplitude propagates in line with the jet, and (iii) the bubble migrates in that same direction during its collapse with a dependence on the stand-off distance, consistent with predictions made using Kelvin impulse. The location of maximum pressure along the walls is measured for the different initial stand-off distances. Using acoustic arguments, we find a semiempirical relationship to predict the initial stand-off distances for which the maximum pressure occurs in the corner. Here we find that when the bubble is sufficiently close to equidistant from each boundary, the maximum pressure is observed in the corner due to the water-hammer and implosion shocks reflecting off the boundaries and intersecting in the corner. We also show that when bubbles are initially attached to either wall the wall pressure produced can be significantly increased compared to bubbles detached from either wall.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Direct Observation of Enhanced Electron-Phonon Coupling in Copper Nanoparticles in the Warm-Dense Matter Regime

Warm-dense matter (WDM) is a highly-excited state that lies at the confluence of solids, plasmas, and liquids and that cannot be described by equilibrium theories. The transient nature of this state when created in a laboratory, as well as the difficulties in probing the strongly-coupled interactions between the electrons and the ions, make it challenging to develop a complete understanding of matter in this regime. Here in this work, by exciting isolated ~8 nm nanoparticles with a femtosecond laser below the ablation threshold, we create uniformly-excited WDM. We then use photoelectron spectroscopy to track the instantaneous electron temperature and directly extract the strongest electron-ion coupling observed experimentally to date. By directly comparing with state-of-the-art theories, we confirm that the superheated nanoparticles lie at the boundary between hot solids and plasmas, with associated strong electron-ion coupling. This is evidenced both by the fast energy loss of electrons to ions, as well as a strong modulation of the electron temperature by acoustic oscillations in the nanoparticle. This work demonstrates a new route for experimental exploration and theoretical validation of the exotic properties of WDM.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Magnetization dynamics fingerprints of an excitonic condensate t 2 g 4 magnet

The competition between spin-orbit coupling (SOC) λ and electron-electron interaction U leads to a plethora of novel states of matter, extensively studied in the context of t 2 g 4 and t 2 g 5 materials, such as ruthenates and iridates. Excitonic magnets—the antiferromagnetic state of bounded electron-hole pairs-are prominent examples of phenomena driven by those competing energy scales. Interestingly, recent theoretical studies predicted that excitonic magnets can be found in the ground state of SOC t 2 g 4 Hubbard models. Here we present a detailed computational study of the magnetic excitations in that excitonic magnet, employing one-dimensional chains (via density matrix renormalization group) and small two-dimensional clusters (via Lanczos). Specifically, first we show that the low-energy spectrum is dominated by a dispersive (acoustic) magnonic mode, with extra features arising from the λ = 0 state in the phase diagram. Second, and more importantly, we found a novel magnetic excitation forming a high-energy optical mode with the highest intensity at wave-vector q → 0 . In the excitonic condensation regime at large U , we also have found a novel high-energy π mode composed solely of orbital excitations. Overall, these features do not appear all together in any of the neighboring states in the phase diagram and thus constitute unique fingerprints of the t 2 g 4 excitonic magnet, of importance in the analysis of neutron and resonant inelastic x-ray scattering experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

The Atacama Cosmology Telescope: DR6 constraints on extended cosmological models

We use new cosmic microwave background (CMB) primary temperature and polarization anisotropy measurements from the Atacama Cosmology Telescope (ACT) Data Release 6 (DR6) to test foundational assumptions of the standard cosmological model, ΛCDM, and set constraints on extensions to it. We derive constraints from the ACT DR6 power spectra alone, as well as in combination with legacy data from the Planck mission. To break geometric degeneracies, we include ACT and Planck CMB lensing data and baryon acoustic oscillation data from DESI Year-1. To test the dependence of our results on non-ACT data, we also explore combinations replacing Planck with WMAP and DESI with BOSS, and further add supernovae measurements from Pantheon+ for models that affect the late-time expansion history. We verify the near-scale-invariance (running of the spectral index dn s /d ln k = 0.0062 ± 0.0052) and adiabaticity of the primordial perturbations. Neutrino properties are consistent with Standard Model predictions: we find no evidence for new light, relativistic species that are free-streaming (N eff = 2.86 ± 0.13, which combined with astrophysical measurements of primordial helium and deuterium abundances becomes N eff = 2.89 ± 0.11), for non-zero neutrino masses (∑m ν < 0.089 eV at 95% CL), or for neutrino self-interactions. We also find no evidence for self-interacting dark radiation (N idr < 0.134), or for early-universe variation of fundamental constants, including the fine-structure constant (α EM /α EM,0 = 1.0043 ± 0.0017) and the electron mass (m e /m e,0 = 1.0063 ± 0.0056). Our data are consistent with standard big bang nucleosynthesis (we find Y p = 0.2312 ± 0.0092), the COBE/FIRAS-inferred CMB temperature (we find T CMB = 2.698 ± 0.016 K), a dark matter component that is collisionless and with only a small fraction allowed as axion-like particles, a cosmological constant (w = -0.986 ± 0.025), and the late-time growth rate predicted by general relativity (γ = 0.663 ± 0.052). We find no statistically significant preference for a departure from the baseline ΛCDM model. In fits to models invoking early dark energy, primordial magnetic fields, or an arbitrary modified recombination history, we find H 0 = 69.9 +0.8 -1.5 , 69.1 ± 0.5, or 69.6 ± 1.0 km/s/Mpc, respectively; using BOSS instead of DESI BAO data reduces the central values of these constraints by 1–1.5 km/s/Mpc while only slightly increasing the error bars. In general, models introduced to increase the Hubble constant or to decrease the amplitude of density fluctuations inferred from the primary CMB are not favored over ΛCDM by our data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Modeling the contributions to acoustic nonlinearity from complex dislocation networks using 3D dislocation dynamics

Nonlinear ultrasonic parameters are highly sensitive to microstructural features that affect macroscale material behavior, providing a nondestructive means to characterize their evolution. Although dislocations are known to be a strong source of acoustic nonlinearity, establishing quantitative links between the acoustic nonlinearity parameter (β), measured via Second Harmonic Generation, and dislocation morphology—such as dislocation length and density—remains an open challenge. This work advances the numerical modeling of dislocation–β relationships using 3D dislocation dynamics (DD) simulations in two approaches: a “static” method computing strain and stress fields from dislocation configurations in the absence of external loading, and a “quasi-static” method to estimate β from the curvature of dislocation lines under applied load. First, the static method is combined with finite element analysis to investigate a recent assertion that heterogeneous initial strain fields can induce higher harmonic generation in a linear elastic medium; the present results do not corroborate this outcome. Then, the quasi-static method is applied to multiple-dislocation scenarios through parametric studies, revealing behaviors not predicted by analytical models, such as the competing interactions of edge and screw dislocations and the significant influence of applied stress on β. Finally, the simulations are used to model SHG experimental results and validate the hypothesis that β can decrease during plastic deformation, despite increasing dislocation density. As the DD code used here is open-source, it provides a practical platform for future investigation into microstructure–β relationships important to the interpretation of SHG results.

Materials science↗
DOE OSTI2020

Plasmon coupling in topological insulator multilayers

Topological insulators (TIs) house two-dimensional Dirac plasmons on their surfaces. In TI thin films, plasmons on the top and bottom surfaces couple electrostatically, giving rise to an acoustic and an optical plasmon mode. By extension, a superlattice comprising TI layers and trivially-insulating layers could house multiple complex plasmon modes which could be used to create a new type of Dirac metamaterial. In this paper, we synthesize TI superlattices, fabricate them into stripe arrays, characterize their optical and plasmonic properties, and model the samples using transfer matrices. Furthermore, we excite plasmon modes that couple to the phonons in the superlattice, resulting in hybrid plasmon phonon polaritons. These modes are modeled using an analytical Fano resonance model and the extracted resonant positions are reproduced by transfer matrix modeling. We also excite an epsilon-near-zero mode in the top dielectric material (Bi 0.5 In 0.5 ) 2 Se 3 . Understanding the behavior of the polariton modes in this complex system will lend insight into the many-body interaction in low-dimensional systems.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Nanosecond Structural Dynamics during Electrical Melting of Charge Density Waves in 1⁢T-TaS 2

Electrical control of charge density waves has been of immense interest, as the strong underlying electron-lattice interactions potentially open new, efficient pathways for manipulating their ordering and, consequently, their electronic properties. However, the transition mechanisms are often unclear as electric field, current, carrier injection, heat, and strain can all contribute and play varying roles across length scales and timescales. Here, we provide insight on how electrical stimulation melts the room temperature charge density wave order in 1T-TaS 2 by visualizing the atomic and mesoscopic structural dynamics from quasistatic to nanosecond pulsed melting. Using a newly developed ultrafast electron microscope setup with electrical stimulation, we reveal the order and strain dynamics during voltage pulses as short as 20 ns. The order parameter dynamics across a range of pulse amplitudes and durations support a thermally driven mechanism even for fields as high as 19 kV cm -1 . In addition, time-resolved imaging reveals a heterogeneous, mesoscopic strain response across the flake, including MHz-scale acoustic resonances that emerge during sufficiently short pulsed excitation which may modulate the order. In conclusion, these results suggest that metallic charge density wave phases like studied here may be more robust to electronic switching pathways than insulating ones, motivating further investigations at higher fields and currents in this and other related systems.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Phonon screening and dissociation of excitons at finite temperatures from first principles

The properties of excitons, or correlated electron–hole pairs, are of paramount importance to optoelectronic applications of materials. A central component of exciton physics is the electron–hole interaction, which is commonly treated as screened solely by electrons within a material. However, nuclear motion can screen this Coulomb interaction as well, with several recent studies developing model approaches for approximating the phonon screening of excitonic properties. While these model approaches tend to improve agreement with experiment, they rely on several approximations that restrict their applicability to a wide range of materials, and thus far they have neglected the effect of finite temperatures. Here, we develop a fully first-principles, parameter-free approach to compute the temperature-dependent effects of phonon screening within the ab initio GW -Bethe–Salpeter equation framework. We recover previously proposed models of phonon screening as well-defined limits of our general framework, and discuss their validity by comparing them against our first-principles results. We develop an efficient computational workflow and apply it to a diverse set of semiconductors, specifically AlN, CdS, GaN, MgO, and SrTiO 3 . We demonstrate under different physical scenarios how excitons may be screened by multiple polar optical or acoustic phonons, how their binding energies can exhibit strong temperature dependence, and the ultrafast timescales on which they dissociate into free electron–hole pairs.

Science & Technology - Other Topics↗
DOE OSTI2020

Necessary and sufficient conditions for resonant mixing of plane waves in elastic solids with quadratic nonlinearity

This paper studies the interactions of two plane waves in elastic solids with quadratic nonlinearity. In particular, the necessary and sufficient conditions for resonant mixing of two plane waves are derived. It is shown that the conventional resonance condition for resonant mixing of plane waves is only a necessary condition, not sufficient. Based on the newly derived necessary and sufficient conditions, resonant mixing of various types of plane waves are investigated and specific conditions for generating a resonant mixed wave are obtained for each case. These results are useful for developing nonlinear ultrasonic nondestructive evaluation techniques using the wave mixing method.

Gao, Xiang↗
DOE OSTI2020

Transported PDF Modeling of Compressible Turbulent Reactive Flows by using the Eulerian Monte Carlo Fields Method

Although the transported probability density function (PDF) method has been developed for decades, its application has been mainly focused on the low-Mach number flow problems. This work extends the transported PDF method to compressible flow problems. The Eulerian Monte Carlo fields (EMCF) solution method is employed to solve the transported PDF equation for compressible flow problems. A pseudo stagnation enthalpy is introduced and its stochastic partial differential equation is derived to ensure total energy conservation numerically. A new mixing model called interaction by partial exchange with mean (IPEM) is introduced to expand the available choices of mixing models for the EMCF method. The consistency of the EMCF method is examined for solving the transported PDF equation. Numerical implementation details are discussed, such as the density coupling between the compressible flow solver and the EMCF solver, discretization schemes for the mixing terms and the stochastic terms. The implemented compressible flow solver coupled with the EMCF solver is verified and validated in a series of test cases with increasing level of complexity, ranging from a statistically one-dimensional turbulent mixing layer to a self-excited resonance model rocket combustor. It is observed that in general with the increase of compressibility, there is an increase in the sensitivity of the modeling results to the different models and algorithms. This makes it necessary to develop a thorough understanding of the model sensitivity in order to develop a robust and accurate simulation solver for highly compressible turbulent reactive flows. The thermo-acoustic instability inside the model rocket combustor case is captured reasonably, which demonstrates the overall capability of the developed compressible turbulent combustion solver based on the transported PDF method.

42 ENGINEERING↗
DOE OSTI2021

Stability and pulsation of the first dark stars

ABSTRACT The first bright objects to form in the Universe might not have been ‘ordinary’ fusion-powered stars, but ‘dark stars’ (DSs) powered by the annihilation of dark matter (DM) in the form of weakly interacting massive particles (WIMPs). If discovered, DSs can provide a unique laboratory to test DM models. DSs are born with a mass of the order of M⊙ and may grow to a few million solar masses; in this work we investigate the properties of early DSs with masses up to $\sim \! 1000 \, \mathrm{ M}_\odot$, fueled by WIMPS weighing 100 GeV. We improve the previous implementation of the DM energy source into the stellar evolution code mesa. We show that the growth of DSs is not limited by astrophysical effects: DSs up to $\sim \!1000 \, \mathrm{ M}_{\odot }$ exhibit no dynamical instabilities; DSs are not subject to mass-loss driven by super-Eddington winds. We test the assumption of previous work that the injected energy per WIMP annihilation is constant throughout the star; relaxing this assumption does not change the properties of the DSs. Furthermore, we study DS pulsations, for the first time investigating non-adiabatic pulsation modes, using the linear pulsation code gyre. We find that acoustic modes in DSs of masses smaller than $\sim \! 200 \, \mathrm{ M}_\odot$ are excited by the κ − γ and γ mechanism in layers where hydrogen or helium is (partially) ionized. Moreover, we show that the mass-loss rates potentially induced by pulsations are negligible compared to the accretion rates.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Distributed strain sensing using Bi-metallic coated fiber optic sensors embedded in stainless steel

Silica fiber optic sensors are resistant to corrosive environments and high temperatures, making them attractive candidates for harsh conditions found in nuclear and aerospace industries. Moreover, fibers can be deployed remotely for continuous measuring of spatially distributed temperatures and strains. Here, this study investigated embedding a Ni/Cu bi-metallic coated fiber in a stainless-steel 316 (SS316) matrix using laser powder bed fusion towards functionalizing metal components for site-specific health monitoring. The embedded fiber was continuously interrogated during controlled heating to 1000°C. The measured fiber strains were similar to the expected differential thermal strains between the fiber and the SS316 matrix, until divergent behavior was observed at temperatures >500°C. No debonding at the matrix–coating–fiber interfaces was observed during microscopy, but significant interactions between the coatings and matrix resulted in diffusion-driven chemistry variations and Kirkendall void formation. Applying the strain-lag theory revealed plastic behavior in the Ni coating at temperatures >500°C, limiting the strain transfer to the fiber at higher temperatures. It was estimated that the elastic modulus in the Ni coating had decreased from ~200 GPa at room temperature to below 40 GPa, starting at 600°C. The low elastic modulus above 600°C is within the margin of what the tangent modulus would be in the case of bilinear isotropic hardening. Regardless of the divergent strain transfer at higher temperatures, the fiber was exposed to the equivalent of 1.9 % engineering strain at 1000°C, but measured only a 0.7 % engineering strain due to the poor strain transfer. Although compensating for the plastic behavior of Ni proved challenging, the bonding of a brittle silica fiber to a metal matrix surviving to 1000°C invites potential iterations on coating material for future application. For example, the embedded fiber is sufficient for acoustic energy transfer, realizing high temperature distributed acoustic sensing.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Bat Impact Minimization Technology: An Improved Bat Deterrent for the Full Swept Rotor Area of Any Wind Turbine

The growth in the number of wind turbine generators has led to a significant number of fatal interactions with bat species. The need to reduce the number of bat fatalities while minimizing power losses is the greatest conservation challenge for wind energy development in parts of the country, according to the American Wind Wildlife Institute. Technological solutions that can also allow turbines to operate normally would generate the maximum electricity and avoid financial losses. Bats use echolocation to perceive their surroundings by listening to features of echoes from their high frequency vocal signals reflecting from targets. In this project, Frontier Wind built on previous research demonstrating that ultrasonic noise can mask echolocation and act as a repellent or deterrent to bat flight activity. Whereas the initial study only broadcast ultrasonic transmissions from the center of the turbine, the Strike Free™ system developed for this project extended the ultrasonic coverage to the entire area swept by the turbine blades. Frontier Wind designed the system components and their integration and then tested them in the lab and in the field at Pattern Energy’s Hatchet Ridge Wind Facility near Redding, California. The researchers used an acoustic model to determine the optimal configuration of transmitters along the blades to provide sound transmission coverage across the turbine rotor swept area volume. The custom ultrasonic transmitters were designed specifically for the echolocation frequencies of the four main bat species that have been shown to have died at Hatchet Ridge, although the transmitters can be customized for different frequencies as needed in other geographic locations. The Strike Free™ system shows promise for reducing bat fatalities, and the path to commercialization requires further testing to validate and optimize performance in the field.

17 WIND ENERGY↗
DOE OSTI2025

Screening of Coulombic Interactions To Achieve a Higher Power Factor in Conjugated Polymers

Thermoelectric properties of conducting polymers typically suffer from molecular chain disordering, as charge transport is predominantly controlled by morphology. This is especially more problematic when counterions are introduced to tune the carrier concentration for optimal thermoelectric performance, which disturbs the morphology further. Here, in this work, we introduce a new avenue for enhancing thermoelectric properties without needing to regulate the morphology, namely, by controlling the coulombic interaction between polarons and counterions. We perform in situ de-doping thermoelectric experiments over 3 orders of magnitude change in electrical conductivity of three distinct thermoelectric polymers, namely, poly(3-hexylthiophene-2,5-diyl) (P3HT), poly[2,5-bis(3-dodecylthiophen-2-yl)thieno[3,2-b]thiophene] (PBTTT-C 12 ), and poly[2,5-(2-octyldodecyl)-3,6-diketopyrrolopyrrole-alt-5,5-(2,5-di(thien-2-yl)thieno[3,2-b]thiophene)] (OD-PDPP2T-TT) conjugated polymers, followed by grazing-incidence wide-angle X-ray scattering (GIWAXS) to study their respective morphologies. We demonstrate a 9-fold enhancement in the thermoelectric power factor in OD-PDPP2T-TT compared to PBTTT-C 12 and link it to the coulombic screening of charge carriers, including in the optimally doped regime. We support this hypothesis using Boltzmann transport equations and show that, in both P3HT and PBTTT-C 12 , as the polymer is doped, impurity scattering remains the dominant scattering mechanism, while in OD-PDPP2T-TT, the scattering mechanism changes from impurity to acoustic phonon limited, resulting in more effective screening of ionized counterions. Our results provide an additional knob to enhance the fundamental understanding of thermoelectric physics of conducting polymers and provide a pathway to achieve higher performance in the field of organic thermoelectrics.

36 MATERIALS SCIENCE↗