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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 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

A variational treatment of material configurations with application to interface motion and microstructural evolution

We present a unified variational treatment of evolving configurations in crystalline solids with microstructure. The crux of our treatment lies in the introduction of a vector configurational field. This field lies in the material, or configurational, manifold, in contrast with the traditional displacement field, which we regard as lying in the spatial manifold. We identify two distinct cases which describe (a) problems in which the configurational field's evolution is localized to a mathematically sharp interface, and (b) those in which the configurational field's evolution can extend throughout the volume. The first case is suitable for describing incoherent phase interfaces in polycrystalline solids, and the latter is useful for describing smooth changes in crystal structure and naturally incorporates coherent (diffuse) phase interfaces. These descriptions also lead to parameterizations of the free energies for the two cases, from which variational treatments can be developed and equilibrium conditions obtained. For sharp interfaces that are out-of-equilibrium, the second law of thermodynamics furnishes restrictions on the kinetic law for the interface velocity. The class of problems in which the material undergoes configurational changes between distinct, stable crystal structures are characterized by free energy density functions that are non-convex with respect to configurational strain. For physically meaningful solutions and mathematical well-posedness, it becomes necessary to incorporate interfacial energy. This we have done by introducing a configurational strain gradient dependence in the free energy density function following ideas laid out by Toupin (Arch. Rat. Mech. Anal., 11, 1962, 385-414). The variational treatment leads to a system of partial differential equations governing the configuration that is coupled with the traditional equations of nonlinear elasticity. The coupled system of equations governs the configurational change in crystal structure, and elastic deformation driven by elastic, Eshelbian, and configurational stresses. As a result, numerical examples are presented to demonstrate interface motion as well as evolving microstructures of crystal structures.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Influencing mechanism of pre-existing nanoscale Al 5 Fe 2 phase on Mg–Fe interface in friction stir spot welded Al-free ZK60–Q235 joint

Al-free ZK60 magnesium (Mg) alloy sheet was selected as substrate material of Mg–steel pinless friction stir spot welding (FSSW), avoiding the effect of the Al element in the substrate on the alloying reaction of Mg-iron (Fe) interface. The sound FSSW joint of ZK60 Mg alloy and Q235 steel with a hot-dipped aluminum (Al)-containing zinc (Zn) coating was successfully realized. The detailed microstructural examinations proved that Al 5 Fe 2 phase at the Mg-Fe interface came from the pre-existing Al 5 Fe 2 phase in the coating and acted as the transition layer for promoting the metallurgical bonding of Mg and Fe. The interfaces with well-matched lattice sites among Fe, Al 5 Fe 2 and Mg were formed during FSSW. A low energy interface with good match of lattice sites ((002) Al5Fe2 //(110) Fe , [110] Al5Fe2 //[13] Fe ) between Al 5 Fe 2 and Fe was identified. For the interface between Al5Fe2 and Mg, an orientation relationship of ( 6 2 ¯ 2 ) A l 5 F e 2 / / ( 3 1 ¯ 1 ¯ 2 ¯ ) M g and [ 1 5 ¯ 8 ¯ ] A l 5 F e 2 / / [ 2 4 ¯ 23 ] M g was observed. The tensile–shear load of the ZK60–steel joint could reach 4.6 kN. Moreover, the joint fracture occurred at the interface between the Al5Fe2 layer and the Mg alloy substrate, suggesting the brittle fracture characteristic.

36 MATERIALS SCIENCE↗
DOE OSTI2022

AGR-2 irradiated TRISO particle IPyC/SiC interface analysis using FIB-SEM tomography

In this work, the morphology in the interface region between the inner pyrolytic carbon layer (IPyC) and silicon carbide (SiC) layers in tristructural-isotropic (TRISO) particle fuel from the AGR-2 irradiation experiment were studied using focused ion beam-scanning electron microscopy tomography. This work quantitatively described the interface and corresponding relevant metrics to understand how the microstructural features at the IPyC/SiC interface may influence actinide and fission product interactions with the SiC layer. Particles were selected with varied 110m Ag retention rates, and their volumes were reconstructed and analyzed for distributions of pores, fission product/actinide features, SiC, and IPyC. It was found that porosity accommodates fission products in the interface and SiC layers. The largest fission product/actinide precipitates were found in the interface region. This was also where the largest number fraction of fission products/actinides was found, consistent with SEM showing fission product/actinide pileup along selected areas of the interface region.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Cascading microstructures in aluminum-steel interfaces created by impact welding

With the rising need to develop light weight structures joining dissimilar metals is inevitable. Thus a fundamental understanding of the microstructure evolution and bond formation mechanism is necessary. In this work we probe the welded interface in aluminum and steel joined using vaporizing foil actuator welding (VFAW) a novel impact welding process. The goal of such a detailed characterization campaign is to understand the bond formation mechanism. The study demonstrates that the interfacial microstructure has a pronounced hierarchical nature. At the macro scale, the interface is characterized by a wavy interface which is a result of extensive plastic deformation that accompanies the process. Detailed transmission electron microscopy shows evidence for the formation of a liquid film at the interface resulting in significant inter diffusion of Fe. The solidified structure at the interface consisted of crystalline α-Al and an amorphous metastable Al-Fe intermetallic compound similar to the observations in rapid solidification of Al-Fe alloys. The sub-nm scale characterization of the interface using atom probe tomography showed two distinct zones 1. A magnesium (5 at.%) and oxygen (15 at.%) rich (not detectable using energy dispersive spectroscopy) which was probably from the decomposition of the surface oxide film 2. The rapidly solidified reaction zone consisting of primary crystalline α-Al and an amorphous Al-Fe (15 at.%)-O (0.5 at.%)-Si (1.5 at.%).Based on these observations a mechanism for the bond formation is presented.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Blocking effect of crystal–glass interface in lanthanum doped barium strontium titanate glass–ceramics

Graphical abstract: The blocking effect of the crystal–glass interface on the carrier transport behavior in the lanthanum doped barium strontium titanate glass–ceramics: preparation and characterization. - Highlights: • La{sub 2}O{sub 3} addition promotes the crystallization of the major crystalline phase. • The Z″ and M″ peaks exist a significant mismatch for 0.5 mol% La{sub 2}O{sub 3} addition. • The Z″ and M″ peaks separate obviously for 1.0 mol% La{sub 2}O{sub 3} addition. • Crystallite impedance decreases while crystal–glass interface impedance increases. • La{sub 2}O{sub 3} addition increases blocking factor of the crystal–glass interface. - Abstract: The microstructures and dielectric properties in La{sub 2}O{sub 3}-doped barium strontium titanate glass–ceramics have been investigated by scanning electron microscopy (SEM) and impedance spectroscopy. SEM analysis indicated that La{sub 2}O{sub 3} additive decreases the average crystallite size. Impedance spectroscopy revealed that the positions of Z″ and M″ peaks are close for undoped samples. When La{sub 2}O{sub 3} concentration is 0.5 mol%, the Z″ and M″ peaks show a significant mismatch. Furthermore, these peaks separate obviously for 1.0 mol% La{sub 2}O{sub 3} addition. With increasing La{sub 2}O{sub 3} concentration, the contribution of the crystallite impedance becomes smaller, while the contribution of the crystal–glass interface impedance becomes larger. More interestingly, it was found that La{sub 2}O{sub 3} additive increases blocking factor of the crystal–glass interface in the temperature range of 250–450 °C. This may be attributed to a decrease of activation energy of the crystallite and an increase of the crystal–glass interface area.

36 MATERIALS SCIENCE↗
DOE OSTI2025

A nonlinear optical perspective on the chemistry at liquid/liquid interfaces

In this review, we discuss some of the subtle (and not-so-subtle) rules that govern chemistry and transport at liquid/liquid (L/L) interfaces. An overview of the importance of L/L interfaces is provided with context about why these interfaces are so challenging to study. Emphasis is placed on the use of vibrational sum-frequency generation (SFG), a surface-specific spectroscopy, to probe these interfaces at and away from equilibrium. Highlights from our laboratory’s work probing these interfaces in the context of chemical separations and soft-matter electronics are discussed. In conclusion, revealing the rules that govern self-assembly, chemical recognition, and transport at these dynamic, highly heterogeneous interfaces can allow formulation of avenues to control chemical and physical transformations, impacting a range of basic and applied fields.

Doughty, Benjamin L. [Oak Ridge National Laborator↗
DOE OSTI2020

Transcritical diffuse-interface hydrodynamics of propellants in high-pressure combustors of chemical propulsion systems

Rocket engines and high-power new generations of gas-turbine jet engines and diesel engines oftentimes involve the injection of one or more reactants at subcritical temperatures into combustor environments at high pressures, and more particularly at pressures higher than those corresponding to the critical points of the individual components of the mixture, which typically range from 13 to 50 bars for most propellants. This class of trajectories in the thermodynamic space has been traditionally referred to as transcritical. However, the fundamental understanding of fuel atomization, vaporization, mixing, and combustion processes at such high pressures remains elusive. In particular, whereas fuel sprays are relatively well characterized at normal pressures, analyses of dispersion of fuel in high-pressure combustors are hindered by the limited experimental diagnostics and theoretical formulations available. The description of the thermodynamics of hydrocarbon-fueled mixtures employed in chemical propulsion systems is complex and involves mixing-induced phenomena, including an elevation of the critical point whereby the coexistence region of the mixture extends up to pressures much larger than the critical pressures of the individual components. As a result, interfaces subject to surface-tension forces may persist in multicomponent systems despite the high pressures, and may give rise to unexpected spray-like atomization dynamics that are otherwise absent in monocomponent systems above their critical point. In this article, the current understanding of this phenomenon is reviewed within the context of propulsion systems fueled by heavy hydrocarbons. Emphasis is made on analytical descriptions at mesoscopic scales of interest for computational fluid dynamics. In particular, a set of modifications of the constitutive laws in the Navier–Stokes equations for multicomponent flows, supplemented with a high-pressure equation of state and appropriate redefinitions of the thermodynamic potentials, are introduced in this work based on an extended version of the diffuse-interface theory of van der Waals. The resulting formulation involves revisited forms of the stress tensor and transport fluxes of heat and species, and enables a description of the mesoscopic volumetric effects induced by transcritical interfaces consistently with the thermodynamic phase diagram of the mixture at high pressures. Additionally, applications of the theory are illustrated in canonical problems, including dodecane/nitrogen transcritical interfaces in non-isothermal systems. The results indicate that a transcritical interface is formed between the propellant streams that persists downstream of the injection orifice over distances of the same order as the characteristic thermal-entrance length of the fuel stream. The transcritical interface vanishes at an edge that gives rise to a fully supercritical mixing layer.

02 PETROLEUM↗
DOE OSTI2016

Site-Specific Preparation of Intact Solid–Liquid Interfaces by Label-Free In Situ Localization and Cryo-Focused Ion Beam Lift-Out

Abstract Scanning transmission electron microscopy (STEM) allows atomic scale characterization of solid–solid interfaces, but has seen limited applications to solid–liquid interfaces due to the volatility of liquids in the microscope vacuum. Although cryo-electron microscopy is routinely used to characterize hydrated samples stabilized by rapid freezing, sample thinning is required to access the internal interfaces of thicker specimens. Here, we adapt cryo-focused ion beam (FIB) “lift-out,” a technique recently developed for biological specimens, to prepare intact internal solid–liquid interfaces for high-resolution structural and chemical analysis by cryo-STEM. To guide the milling process we introduce a label-free in situ method of localizing subsurface structures in suitable materials by energy dispersive X-ray spectroscopy (EDX). Monte Carlo simulations are performed to evaluate the depth-probing capability of the technique, and show good qualitative agreement with experiment. We also detail procedures to produce homogeneously thin lamellae, which enable nanoscale structural, elemental, and chemical analysis of intact solid–liquid interfaces by analytical cryo-STEM. This work demonstrates the potential of cryo-FIB lift-out and cryo-STEM for understanding physical and chemical processes at solid–liquid interfaces.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Capillary Electrophoresis-nanoelectrospray Ionization-selected Reaction Monitoring Mass Spectrometry Via A True Sheathless Metal-coated Emitter Interface For Robust And High Sensitivity Sample Quantification

A new sheathless CITP/CZE-MS interface, based on a commercially available capillary with an integrated metal coated ESI emitter, was developed in this study aiming at overcoming the reproducibility and ruggedness problems, suffered to a certain degree by almost all the available CE-MS interfaces, and pushing the CE-MS technology suitable for routine sample analysis with high sensitivity. The new CITP/CZE-MS interface allows the electric contact between ESI voltage power supply and the CE separation liquid by using a conductive liquid that comes in contact with the metal coated surface of the ESI emitter, making it a true sheathless CE-MS interface. Stable electrospray was established by avoiding the formation of gas bubbles from electro chemical reaction at the emitter tip or inside of the CE capillary. Crucial operating parameters, such as sample loading volume, flow rate, and separation voltage, were systematically evaluated for their effects on both CITP/CZE separation efficiency and MS detection sensitivity. Around one hundred CITP/CZE-MS analyses can be easily achieved by using the new sheathless CITP/CZE interface without a noticeable loss of metal coating on the ESI emitter surface, or degrading of the ESI emitter performance. The reproducibility in analyte migration time and quantitative performance of the new interface was experimentally evaluated to demonstrate a LOQ bellow 5 attomole.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2019

Monovalent and Divalent Cations at the a-Al2O3(0001)/Water Interface: How Cation Identity Affects Interfacial Ordering and Vibrational Dynamics

Mineral oxide-water interfaces are important for a wide range of industrial, geochemical, and biological processes. The reactivity of these interfaces is strongly impacted by the presence of ions. Thus, it is critical to understand how ions alter the interfacial environment. This can be achieved by measuring the changes in the structure and vibrational dynamics of interfacial water induced by the presence of ions in close vicinity to the mineral surface. The a-Al2O3(0001) surface represents a flexible platform to study the effect of ions on interfacial aqueous environments at positive, neutral and negative surface charge. Using vibrational sum frequency generation (vSFG) in the frequency and time domain, we investigate how monovalent and divalent cations affect the hydrogen bonding environment of the first few layers of interfacial water next to a-Al2O3(0001). Our results indicate that monovalent cations, such as Li+, Na+, K+, and Cs+, appear to have lower binding affinities for the interface compared to Ca2+, Sr2+, and Ba2+. This leads to an interfacial region that is structured in a cation valence dependent manner. Addition of divalent cations at the negatively charged interface (pH 10) increases the spectral intensity in the 3400 cm-1 region compared to neat pH 10 H2O, in contrast to monovalent cations that only attenuate the vSFG signal. Time resolved vSFG measurements reveal that the O-H vibrational lifetime (T1) of interfacial species at pH 10 in the presence of NaCl and BaCl2 remains similar, but restructuring of the surface seen in steady state vSFG is manifested in the degree to which strongly hydrogen bonded species recover to their original populations post excitation. By tracking the accumulation of ions at the interface via the vSFG response, we can characterize the unique surface arrangements of interfacial water molecules induced by a range of monovalent and divalent cations at the a-Al2O3(0001)/water interface.

Piontek, Stefan↗
DOE OSTI2019

Sodium Halide Adsorption and Water Structure at the α-Alumina(0001)/Water Interface

Alumina is one of the most abundant minerals and has a wide range of industrial applications, with catalysis as one of the most important. Of particular relevance for catalysis is the structure of the mineral/water interface. In this work, water structure and sodium halide adsorption at the neutral α-alumina(0001)/water interface are investigated using molecular dynamics simulations. This work demonstrates the accuracy of the chosen model of the alumina/water interface and shows that high charge density monovalent ions, such as Na+ and F–, have a strong affinity for the interface due to the specific pattern of alumina surface OH groups, such that the adsorbed ions displace waters that are hydrogen-bonded to the surface in their absence. A significant portion of the driving force for anion adsorption arises from surface bound Na+, which reverse the intrinsic surface dipole field and drive the accumulation of halides at the interface. The resulting electrolytic interfacial structure reorients water molecules as far as 1 nm from the surface. Although ion adsorption does not alter the global orientation of surface OH groups, it significantly affects their local geometry. This in turn may affect the reactivity of surface groups and thus play a role in chemical processes occurring at the interface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Electro-Chemo-Mechanical Evolution at the Garnet Solid Electrolyte–Cathode Interface

Solid-state batteries promise higher energy density and improved safety compared with lithium-ion batteries. However, electro-chemomechanical instabilities at the solid electrolyte interface with the cathode and the anode hinder their large scale implementation. Here, in this study, we focus on resolving electro-chemo-mechanical instability mechanisms and their onset conditions between a state-of-the-art cathode, LiNi 0.6 Mn 0.2 Co 0.2 O 2 (NMC622), and the garnet Li 7 La 3 Zr 2 O 12 (LLZO) solid electrolyte. We used thin-film NMC622 on LLZO pellets to place the interfacial region within the detection depth of the X-ray characterization techniques. The experimental probes of the near-interface region included in operando X-ray absorption spectroscopy and ex situ focused ion beam scanning electron microscopy. Electrochemical degradation was not observable during cycling at room temperature with 4.3 V versus Li/Li + charge voltage cutoff, or with stepwise potentiostatic hold up to 4.1 V versus Li/Li + . In contrast, secondary phases including reduced transition metal species (Ni 2+ , Co 2+ ) were found after cycling up to 4.3 V versus Li/Li + at 80 °C and during potentiostatic hold at 4.3 V versus Li/Li + (Ni 2+ ). Intergranular cracks between NMC622 grains and delamination at the NMC622|LLZO interface occurred readily after the first charge. These interface reaction products and mechanical failure lowered the capacity and cell efficiency due to partial loss of the NMC622 phase, partial loss of contact at the interface, and a higher polarization resistance. Electrochemical instability between delithiated NMC622 and LLZO could be mitigated by using a low charge voltage cutoff or cycling at lower temperature. Ways to engineer the mechanical properties to avoid crack deflection and delamination at the interface are also discussed for enhancing mechanical stability.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Chemical Interface Damping Revealed by Single-Particle Absorption Spectroscopy

Plasmon-induced interfacial charge separation is a promising way to efficiently extract energetic carriers through direct plasmon decay. This mechanism of charge transfer has been investigated by single-particle scattering spectroscopy, which measures the homogeneous plasmon line width. The line width is broadened by charge transfer, generally known as chemical interface damping. However, conflicting reports exist regarding the effect of chemical interface damping on the corresponding single-particle absorption spectrum, which is needed to accurately determine absolute light conversion efficiencies. This work aims to resolve this question by directly correlating absorption and scattering spectra of individual gold nanorods in the presence and absence of a charge-accepting interface. We find that for TiO 2 coated nanorods, the absorption line width is indeed broadened due to chemical interface damping but is overall narrower than the scattering line width. Here, chemical interface damping is furthermore found to increase with larger resonance energies. The observed differences in line widths between absorption and scattering are elucidated within the context of an analytically tractable model describing the lowest energy optically bright and higher-order optically dark plasmon modes of the nanorod, including bulk, radiative, and chemical interface damping effects. Taken together, these results establish that single-particle absorption spectroscopy is capable of revealing interfacial charge injection by direct plasmon decay.

absorption↗
DOE OSTI2014

Tensile Fracture of Welded Polymer Interfaces: Miscibility, Entanglements, and Crazing

Large-scale molecular simulations are performed to investigate tensile failure of polymer interfaces as a function of welding time t. Changes in the tensile stress, mode of failure and interfacial fracture energy G I are correlated to changes in the interfacial entanglements as determined from Primitive Path Analysis. Bulk polymers fail through craze formation, followed by craze breakdown through chain scission. At small t welded interfaces are not strong enough to support craze formation and fail at small strains through chain pullout at the interface. Once chains have formed an average of about one entanglement across the interface, a stable craze is formed throughout the sample. The failure stress of the craze rises with welding time and the mode of craze breakdown changes from chain pullout to chain scission as the interface approaches bulk strength. The interfacial fracture energy G I is calculated by coupling the simulation results to a continuum fracture mechanics model. As in experiment, G I increases as t 1/2 before saturating at the average bulk fracture energy G b . As in previous studies of shear strength, saturation coincides with the recovery of the bulk entanglement density. Before saturation, G I is proportional to the areal density of interfacial entanglements. Immiscibiltiy limits interdiffusion and thus suppresses entanglements at the interface. Even small degrees of immisciblity reduce interfacial entanglements enough that failure occurs by chain pullout and G I << G b .

36 MATERIALS SCIENCE↗
DOE OSTI2015

Vibrational spectroscopy at electrolyte/electrode interfaces with graphene gratings

Microscopic understanding of physical and electrochemical processes at electrolyte/electrode interfaces is critical for applications ranging from batteries, fuel cells to electrocatalysis. However, probing such buried interfacial processes is experimentally challenging. Infrared spectroscopy is sensitive to molecule vibrational signatures, yet to approach the interface three stringent requirements have to be met: interface specificity, sub-monolayer molecular detection sensitivity, and electrochemically stable and infrared transparent electrodes. Here we show that transparent graphene gratings electrode provide an attractive platform for vibrational spectroscopy at the electrolyte/electrode interfaces: infrared diffraction from graphene gratings offers enhanced detection sensitivity and interface specificity. We demonstrate the vibrational spectroscopy of methylene group of adsorbed sub-monolayer cetrimonium bromide molecules and reveal a reversible field-induced electrochemical deposition of cetrimonium bromide on the electrode controlled by the bias voltage. Such vibrational spectroscopy with graphene gratings is promising for real time and in situ monitoring of different chemical species at the electrolyte/electrode interfaces.

Science & Technology - Other Topics↗
DOE OSTI2016

Hybridization-controlled charge transfer and induced magnetism at correlated oxide interfaces

At interfaces between conventional materials, band bending and alignment are classically controlled by differences in electrochemical potential. Applying this concept to oxides in which interfaces can be polar and cations may adopt a mixed valence has led to the discovery of novel two-dimensional states between simple band insulators such as LaAlO 3 and SrTiO 3 . However, many oxides have a more complex electronic structure, with charge, orbital and/or spin orders arising from strong Coulomb interactions at and between transition metal and oxygen ions. Such electronic correlations offer a rich playground to engineer functional interfaces but their compatibility with the classical band alignment picture remains an open question. Here we show that beyond differences in electron affinities and polar effects, a key parameter determining charge transfer at correlated oxide interfaces is the energy required to alter the covalence of the metal–oxygen bond. Using the perovskite nickelate (RNiO 3 ) family as a template, we probe charge reconstruction at interfaces with gadolinium titanate GdTiO 3 . X-ray absorption spectroscopy shows that the charge transfer is thwarted by hybridization effects tuned by the rare-earth (R) size. Charge transfer results in an induced ferromagnetic-like state in the nickelate, exemplifying the potential of correlated interfaces to design novel phases. Furthermore, our work clarifies strategies to engineer two-dimensional systems through the control of both doping and covalence.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Organo–organic and organo–mineral interfaces in soil at the nanometer scale

The capacity of soil as a carbon (C) sink is mediated by interactions between organic matter and mineral phases. However, previously proposed layered accumulation of organic matter within aggregate organo–mineral microstructures has not yet been confirmed by direct visualization at the necessary nanometer-scale spatial resolution. Here, we identify disordered micrometer-size organic phases rather than previously reported ordered gradients in C functional groups. Using cryo-electron microscopy with electron energy loss spectroscopy (EELS), we show organo–organic interfaces in contrast to exclusively organo–mineral interfaces. Single-digit nanometer-size layers of C forms were detected at the organo–organic interface, showing alkyl C and nitrogen (N) enrichment (by 4 and 7%, respectively). At the organo–mineral interface, 88% (72–92%) and 33% (16–53%) enrichment of N and oxidized C, respectively, indicate different stabilization processes than at organo–organic interfaces. However, N enrichment at both interface types points towards the importance of N-rich residues for greater C sequestration.

58 GEOSCIENCES↗
DOE OSTI2021

Direct observation of polarization-induced two-dimensional electron/hole gases at ferroelectric-insulator interface

Abstract Two-dimensional electron gas or hole gas (2DEG or 2DHG) and their functionalities at artificial heterostructure interfaces have attracted extensive attention in recent years. Many theoretical calculations and recent experimental studies have shown the formation of alternating 2DEG and 2DHG at ferroelectric/insulator interfaces, such as BiFeO 3 /TbScO 3 , depending on the different polarization states. However, a direct observation based on the local charge distribution at the BiFeO 3 /TbScO 3 interface has yet to be explored. Herein we demonstrate the direct observation of 2DHG and 2DEG at BiFeO 3 /TbScO 3 interface using four-dimensional scanning transmission electron microscopy and Bader charge analysis. The results show that the measured charge state of each Fe/O columns at the interface undergoes a significant increase/reduction for the polarization state pointing away/toward the interface, indicating the existence of 2DHG/2DEG. This method opens up a path of directly observing charge at atomic scale and provides new insights into the design of future electronic nanodevices.

36 MATERIALS SCIENCE↗