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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 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Active Dendrite Suppression by Ferroelectric Membrane Separators in Rechargeable Batteries

Anodic dendrite formation is a critical issue in rechargeable batteries and often leads to poor cycling stability and quick capacity loss. Prevailing strategies for dendrite suppression aim at slowing down the growth rate kinetically but still leaving possibilities for dendrite evolution over time. Herein, we report a complete dendrite elimination strategy using a mesoporous ferroelectric polymer membrane as the battery separator. The dendrite suppression is realized by spontaneously reversing the surface energetics for metal ion reduction at the protrusion front, where a positive piezoelectric polarization is generated and superimposed as the protrusion compresses the separator. This effect is demonstrated first in a Zn electroplating process, and further in Zn–Zn symmetric cells and Zn–NaV 3 O 8 ·1.5H 2 O full cells, where the dendritic Zn anode surfaces are completely turned into featureless flat surfaces. Consequently, a substantially longer charging/discharging cycle is achieved. Furthermore, this study provides a promising pathway toward high-performance dendrite-free rechargeable batteries.

25 ENERGY STORAGE↗
DOE OSTI2024

Imaging Ferroelastic Domain Walls in Hybrid Improper Ferroelectric Sr 3 Sn 2 O 7

For this work, we combined synchrotron-based near field infrared spectroscopy and atomic force microscopy to image the properties of ferroelastic domain walls in Sr 3 Sn 2 O 7 . Although frequency shifts at the walls are near the limit of our sensitivity, we can confirm semiconducting rather than metallic character and widths between 20 and 60 nm. The latter is significantly narrower than in other hybrid improper ferroelectrics like Ca 3 Ti 2 O 7 . We attribute this trend to the softer lattice in Sr 3 Sn 2 O 7 , which may enable the octahedral tilt and rotation order parameters to evolve more quickly across the wall without significantly increased strain. These findings are crucial for the understanding of phononic properties at interfaces and the development of domain wall-based devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Stability of Polar Vortex Lattice in Ferroelectric Superlattices

A novel mesoscale state comprising of an ordered polar vortex lattice has been demonstrated in ferroelectric superlattices of PbTiO 3 /SrTiO 3 . In this study, we employ phase-field simulations, analytical theory, and experimental observations to evaluate thermodynamic conditions and geometric length scales that are critical for the formation of such exotic vortex states. We show that the stability of these vortex lattices involves an intimate competition between long-range electrostatic, long-range elastic, and short-range polarization gradient-related interactions leading to both an upper and a lower bound to the length scale at which these states can be observed. Finally, we found that the critical length is related to the intrinsic domain wall width, which could serve as a simple intuitive design rule for the discovery of novel ultrafine topological structures in ferroic systems.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Orientation of Ferroelectric Domains and Disappearance upon Heating Methylammonium Lead Triiodide Perovskite from Tetragonal to Cubic Phase

We study the spontaneous polarization of the archetypal semiconducting halide perovskite methylammonium lead triiodide (CH 3 NH 3 PbI 3 ) that is currently being investigated for use in thin film solar cells and light-emitting diodes. Using both lateral and vertical piezoresponse force microscopy (PFM) to image polycrystalline thin films, we observed domains in the piezoresponse that reversibly appear and disappear below and above the tetragonal-to-cubic phase transition temperature. Importantly, we observe these domains to exhibit a piezoresponse that is predominantly in-plane for films with the (110) plane oriented parallel to the substrate, providing a measure of the polarization associated with specific crystal planes. We characterize the polarization and its temporal response using both local switching spectroscopy and time-dependent PFM spectra. These data show hysteresis loops with the polarization switching with bias but relaxing back on time scales of several minutes. Furthermore, our results suggest the existence of ferroelectric behavior due to off-center displacement of the Pb 2+ cation, although the local polarization response is complicated by the presence of local ionic and electronic conductivity. Understanding the nature of these domains paves the way for further optimization of optoelectronic devices using CH 3 NH 3 PbI 3 perovskite material.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Polarization Control via He-Ion Beam Induced Nanofabrication in Layered Ferroelectric Semiconductors

Rapid advanced in nanoscience rely on continuous improvements of matter manipulation at near atomic scales. Currently, well characterized, robust, resist-based lithography carries the brunt of the nanofabrication process. However, use of local electron, ion and physical probe methods is also expanding, driven largely by their ability to fabricate without the multi-step preparation processes that can result in contamination from resists and solvents. Furthermore, probe based methods extend beyond nanofabrication to nanomanipulation and imaging, vital ingredients to rapid transition to prototyping and testing of layered 2D heterostructured devices. In this work we demonstrate that helium ion interaction, in a Helium Ion Microscope (HIM), with the surface of bulk copper indium thiophosphate CuM III P 2 X 6 (M = Cr, In; X= S, Se), (CITP) results in the control of ferroelectric domains, and growth of cylindrical nanostructures with enhanced conductivity; with material volumes scaling with the dosage of the beam. The nanostructures are oxygen rich, sulfur poor, and with the copper concentration virtually unchanged as confirmed by Energy Dispersive X-ray (EDX). Scanning Electron Microscopy (SEM) imaging contrast as well as Scanning Microwave Microscopy (SMM) measurements suggest enhanced conductivity in the formed particle, whereas Atomic Force Microscopy (AFM) measurements indicate that the produced structures have lower dissipation and a lower Young s modulus.

2D crystals↗
DOE OSTI2018

Above-Band Gap Photoinduced Stabilization of Engineered Ferroelectric Domains

The effect of above-band gap photons on the domains of the BiFeO3 (BFO) thin film was investigated via piezoresponse force microscopy and Kelvin probe force microscopy. It is found that under above-band gap illumination, the relaxation time of the polarization state was significantly extended, while the effective polarizing voltage for the pristine domains was reduced. We propose that this photoinduced domain stabilization can be attributed to the interaction between photogenerated surface charges and domains. Importantly, a similar phenomenon is observed in other ferroelectric (FE) materials with an internal electric field once they are illuminated by above-band gap light, indicating that this photoinduced stabilization is potentially universal rather than specific to BFO. Furthermore, this study will not only contribute to the knowledge of photovoltaic (PV) phenomena but also provide a new route to promote the stability of PV and FE materials.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Voltage-Controlled Bistable Thermal Conductivity in Suspended Ferroelectric Thin-Film Membranes

Ferroelastic domain walls in ferroelectric materials possess two properties that are known to affect phonon transport: a change in crystallographic orientation and a lattice strain. Changing populations and spacing of nanoscale-spaced ferroelastic domain walls lead to the manipulation of phonon-scattering rates, enabling the control of thermal conduction at ambient temperatures. In the present work, lead zirconate titanate (PZT) thin-film membrane structures were fabricated to reduce mechanical clamping to the substrate and enable a subsequent increase in the ferroelastic domain wall mobility. Under application of an electric field, the thermal conductivity of PZT increases abruptly at ~100 kV/cm by ~13% owing to a reduction in the number of phonon-scattering domain walls in the thermal conduction path. The thermal conductivity modulation is rapid, repeatable, and discrete, resulting in a bistable state or a “digital” modulation scheme. The modulation of thermal conductivity due to changes in domain wall configuration is supported by polarization-field, mechanical stiffness, and in situ microdiffraction experiments. In conclusion, this work opens a path toward a new means to control phonons and phonon-mediated energy in a digital manner at room temperature using only an electric field.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Locally Controlled Cu-Ion Transport in Layered Ferroelectric CuInP 2 S 6

Metal thiophosphates are gaining attention in the context of quasi-two-dimensional van der Waals functional materials. Alkali thiophosphates are investigated as ion conductors for solid electrolytes, and transition-metal thiophosphates are explored as a new class of ferroelectric materials. For the latter, a representative copper indium thiophosphate is ferrielectric at room temperature and, despite low polarization, exhibits giant negative electrostrictive coefficients. In this work, we reveal that ionic conductivity in this material enables localized extraction of Cu ions from the lattice with a biased scanning probe microscopy tip, which is surprisingly reversible. The ionic conduction is tracked through local volume changes with a scanning probe microscopy tip providing a current-free probing technique, which can be explored for other thiophosphates of interest. Nearly 90 nm-tall crystallites can be formed and erased reversibly on the surface of this material as a result of ionic motion, the size of which can be sensitively controlled by both magnitude and frequency of the electric field, as well as the ambient temperature. These experimental results and density functional theory calculations point to a remarkable resilience of CuInP 2 S 6 to large-scale ionic displacement and Cu vacancies, in part enabled by the metastability of Cu-deficient phases. Moreover, we have found that the piezoelectric response of CuInP 2 S 6 is enhanced by about 45% when a slight ionic modification is carried out with applied field. This new mode of modifying the lattice of CuInP 2 S 6 , and more generally ionically conducting thiophosphates, posits new prospects for their applications in van der Waals heterostructures, possibly in the context of catalytic or electronic functionalities.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Autonomous Experiments in Scanning Probe Microscopy and Spectroscopy: Choosing Where to Explore Polarization Dynamics in Ferroelectrics

Polarization dynamics in ferroelectric materials are explored via automated experiment in piezoresponse force microscopy/spectroscopy (PFM/S). A Bayesian optimization (BO) framework for imaging is developed, and its performance for a variety of acquisition and pathfinding functions is explored using previously acquired data. The optimized algorithm is then deployed on an operational scanning probe microscope (SPM) for finding areas of large electromechanical response in a thin film of PbTiO 3 , with results showing that, with just 20% of the area sampled, most high-response clusters were captured. Furthermore, this approach can allow performing more complex spectroscopies in SPM that were previously not possible due to time constraints and sample stability. Improvements to the framework to enable the incorporation of more prior information and improve efficiency further are modeled and discussed.

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

Exploring Causal Physical Mechanisms via Non-Gaussian Linear Models and Deep Kernel Learning: Applications for Ferroelectric Domain Structures

Rapid emergence of multimodal imaging in scanning probe, electron, and optical microscopies has brought forth the challenge of understanding the information contained in these complex data sets, targeting the intrinsic correlations between different channels, and further exploring the underpinning causal physical mechanisms. Here, we develop such an analysis framework for Piezoresponse Force Microscopy. We argue that under certain conditions, we can bootstrap experimental observations with the prior knowledge of materials structure to get information on certain nonobserved properties, and demonstrate linear causal analysis for PFM observables. We further demonstrate that the strength of individual causal links between complex descriptors can be ascertained using the deep kernel learning (DKL) model. In this DKL analysis, we use the prior information on domain structure within the image to predict the physical properties. This analysis demonstrates the correlative relationships between morphology, piezoresponse, elastic property, etc., at nanoscale. The prediction of morphology and other physical parameters illustrates a mutual interaction between surface condition and physical properties in ferroelectric materials. Overall, this analysis is universal and can be extended to explore the correlative relationships of other multichannel data sets, and allow for high-fidelity reconstruction of underpinning functionalities and physical mechanisms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Room-Temperature Electrocaloric Effect in Layered Ferroelectric CuInP 2 S 6 for Solid-State Refrigeration

A material with reversible temperature change capability under an external electric field, known as the electrocaloric effect (ECE), has long been considered as a promising solid-state cooling solution. However, electrocaloric (EC) performance of EC materials generally is not sufficiently high for real cooling applications. As a result, exploring EC materials with high performance is of great interest and importance. Here, we report on the ECE of ferroelectric materials with van der Waals layered structure (CuInP2S6 or CIPS in this work in particular). Over 60% polarization charge change is observed within a temperature change of only 10 K at Curie temperature. Large adiabatic temperature change (|Δ T |) of 3.3 K and isothermal entropy change (|Δ S |) of 5.8 J kg –1 K –1 at |Δ E | = 142.0 kV cm –1 and at 315 K (above and near room temperature) are achieved, with a large EC strength (|Δ T |/|Δ E |) of 29.5 mK cm kV –1 . Furthermore, the ECE of CIPS is also investigated theoretically by numerical simulation, and a further EC performance projection is provided.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Field enhancement of electronic conductance at ferroelectric domain walls

Ferroelectric domain walls have continued to attract widespread attention due to both the novelty of the phenomena observed and the ability to reliably pattern them in nanoscale dimensions. But, the conductivity mechanisms remain in debate, particularly around nominally uncharged walls. Here, we posit a conduction mechanism relying on field-modification effect from polarization re-orientation and the structure of the reverse-domain nucleus. Through conductive atomic force microscopy measurements on an ultra-thin (001) BiFeO 3 thin film, in combination with phase-field simulations, we show that the field-induced twisted domain nucleus formed at domain walls results in local-field enhancement around the region of the atomic force microscope tip. In conjunction with slight barrier lowering, these two effects are sufficient to explain the observed emission current distribution. Our results suggest that different electronic properties at domain walls are not necessary to observe localized enhancement in domain wall currents.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Hopfions emerge in ferroelectrics

Paradigmatic knotted solitons, Hopfions, that are characterized by topological Hopf invariant, attract an intense attention in the diverse areas of physics ranging from high-energy physics, cosmology and astrophysics to biology, magneto- and hydrodynamics and condensed matter physics. Yet, while being of broad interest, they remain elusive and under-explored. Here we demonstrate that Hopfions emerge as a basic configuration of polarization field in confined ferroelectric nanoparticles. Our findings establish that Hopfions are of fundamental importance for the electromagnetic behavior of the nanocomposits and can result in advanced functionalities of these materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Ferroelectric phase-transition frustration near a tricritical composition point

Phase transition describes a mutational behavior of matter states at a critical transition temperature or external field. Despite the phase-transition orders are well sorted by classic thermodynamic theory, ambiguous situations interposed between the first- and second-order transitions were exposed one after another. Here, we report discovery of phase-transition frustration near a tricritical composition point in ferroelectric Pb(Zr 1-x Ti x )O 3 . Our multi-scale transmission electron microscopy characterization reveals a number of geometrically frustrated microstructure features such as self-assembled hierarchical domain structure, degeneracy of mesoscale domain tetragonality and decoupled polarization-strain relationship. Associated with deviation from the classic mean-field theory, dielectric critical exponent anomalies and temperature dependent birefringence data unveil that the frustrated transition order stems from intricate competition of short-range polar orders and their decoupling to long-range lattice deformation. With supports from effective Hamiltonian Monte Carlo simulations, our findings point out a potentially universal mechanism to comprehend the abnormal critical phenomena occurring in phase-transition materials.

42 ENGINEERING↗
DOE OSTI2019

Reply to: On the ferroelectricity of CH 3 NH 3 PbI 3 perovskites

First, we thank Schulz et al. 1 for their response to our Article 2 . Schulz et al. raise a few concerns regarding the piezoresponse force microscopy (PFM) measurements and their interpretation, as well as the crystal orientation, which they claim brings into question our central conclusions. Accordingly, Schulz et al. conclude that ferroelectricity is responsible for the origin of the PFM signal. However, we do not agree with this conclusion as there is no measurable electromechanical contrast above 1 pm V -1 and there are strong mechanical and chemical variations inside the twin domains that, in our opinion, are behind the measured PFM signal.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Pressure-tuned plethora of ferroelectric phases in CuInP 2 S 6

Layered chalcogenides like CuInP 2 S 6 are room temperature ferroelectrics. Modest compression even increases the electric polarization, raising questions about the origin of this unusual trend and other properties under pressure. In this work, we combine synchrotron-based infrared and Raman scattering spectroscopies, x-ray diffraction, and resistivity measurements with first-principles calculations of the lattice dynamics and energy landscape to unravel the influence of pressure on symmetry, polarization, and metallicity. We uncover a remarkable series of phase transitions across a series of polar space groups: monoclinic Cc → trigonal P31c (prismatic sulfur) → P31c (octahedral sulfur). True metallicity develops above 63 GPa, significantly higher than in related MPS 3 materials (M = Mn, Co, Fe, Ni), offering a picture of competing states of matter that is different than previously supposed. Detailed examination of pressure trends within the Cc phase also reveals phonon lifetime changes and streaking of satellite x-ray peaks that correlate with the maximum polarization. We discuss these tendencies in terms of Cu + ion migration, phase formation, and the overall energy landscape. Our findings place the high pressure behavior of CuInP 2 S 6 on a firm foundation and pave the way for the development of structure-property relations in this family of complex chalcogenides.

ferroelectric phases↗
DOE OSTI2020

Large electromechanical strain and unconventional domain switching near phase convergence in a Pb-free ferroelectric

In many ferroelectrics, large electromechanical strains are observed near regions of composition- or temperature- driven phase coexistence. Phenomenologically, this is attributed to easy re-orientation of the polarization vector and/or phase transition, although their effects are highly convoluted and difficult to distinguish experimentally. Here, we used synchrotron X-ray scattering and digital image correlation to differentiate between the microscopic mechanisms leading to large electrostrains in an exemplary Pb-free piezoceramic Sn-doped barium calcium zirconate titanate. Large electrostrains of ~0.2% measured at room-temperature are attributed to an unconventional effect, wherein polarization switching is aided by a reversible phase transition near the tetragonal-orthorhombic phase boundary. Additionally, electrostrains of ~0.1% or more could be maintained from room temperature to 140°C due to a succession of different microscopic mechanisms. In situ X-ray diffraction elucidates that while 90° domain reorientation is pertinent below the Curie temperature ( T C ), isotropic distortion of polar clusters is the dominant mechanism above T C .

36 MATERIALS SCIENCE↗
DOE OSTI2016

Synthesis and application of ferroelectric poly(vinylidene fluoride-co-trifluoroethylene) films using electrophoretic deposition

In this paper, we investigated the deposition kinetics of polyvinylidene fluoride copolymerized with trifluoroethylene (P(VDF-TrFE)) particles on stainless steel substrates during the electrophoretic deposition (EPD) process. The effect of applied voltage and deposition time on the structure and ferroelectric property of the P(VDF-TrFE) films was studied in detail. A method of repeated EPD and heat treatment above melting point were employed to fabricate crack-free P(VDF-TrFE) thick films. This method enabled us to fabricate P(VDF-TrFE) films with variable thicknesses. The morphology of the obtained films was investigated by scanning electron microscopy (SEM), and the formation of β-phase was confirmed by X-ray diffraction (XRD) and Fourier transform infrared (FTIR) spectroscopy. P(VDF-TrFE) films prepared with various thicknesses showed remnant polarization (P r ) of around 4 μC/cm 2 . To demonstrate the applicability of our processing recipe to complex structures, we fabricated a spring-type energy harvester by depositing P(VDF-TrFE) films on stainless steel springs using EPD process. Our preliminary results show that an electrophoretic deposition can be applied to produce high-quality P(VDF-TrFE) films on planar as well as three-dimensional (3-D) substrates.

36 MATERIALS SCIENCE↗