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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Hydride-Containing Eight-Electron Pt/Ag Superatoms: Structure, Bonding, and Multi-NMR Studies

Recent reports on hydride-doped noble metal nanoclusters strongly suggest that the encapsulated hydride is a part of the superatom core, but no accurate location of the hydride could be experimentally proved, so far. Here, we report herein a hydride-doped eight-electron platinum/silver alloy nanocluster in which the position of four-coordinated hydride was determined by neutron diffraction for the first time. X-ray structures of [PtHAg 19 (dtp/desp) 12 ] (dtp = S 2 P(O n Pr) 2 , 1; dsep = Se 2 P(O i Pr) 2 , 2) describe a central platinum hydride (PtH) unit encapsulated within a distorted Ag 12 icosahedron, the resulting (PtH)@Ag 12 core being stabilized by an outer sphere made up of 7 capping silver atoms and 12 dichalcogenolates. Solid-state structures of 1 and 2 differ somewhat in the spatial configuration of their outer spheres, resulting in overall different symmetries, C 1 and C 3 , respectively. Whereas the multi-NMR spectra of 2 in solution at 173 K reveal that the structure of C 3 symmetry is the predominant one, 1 H and 195 Pt NMR spectra of 1 at the same temperature disclose the presence of isomers of both C 1 and C 3 symmetry. DFT calculations found both isomers to be very close in energy, supporting the fact that they co-exist in solution. They also show that the [PtH@Ag 12 ] 5+ kernel can be viewed as a closed-shell superatomic core, the μ4-hydride electron contributing to its eight-electron count. On the other hand, the 1s(H) orbital contributes only moderately to the superatomic orbitals, being mainly involved in the building of a Pt–H bonding electron pair with the 5d z 2 (Pt) orbital.

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

Node Distortion as a Tunable Mechanism for Negative Thermal Expansion in Metal–Organic Frameworks

Chemically functionalized series of metal–organic frameworks (MOFs), with subtle differences in local structure but divergent properties, provide a valuable opportunity to explore how local chemistry can be coupled to long-range structure and functionality. Using in situ synchrotron X-ray total scattering, with powder diffraction and pair distribution function (PDF) analysis, we investigate the temperature dependence of the local- and long-range structure of MOFs based on NU-1000, in which Zr 6 O 8 nodes are coordinated by different capping ligands (H 2 O/OH, Cl – ions, formate, acetylacetonate, and hexafluoroacetylacetonate). We show that the local distortion of the Zr 6 nodes depends on the lability of the ligand and contributes to a negative thermal expansion (NTE) of the extended framework. Using multivariate data analyses, involving non-negative matrix factorization (NMF), we demonstrate a new mechanism for NTE: progressive increase in the population of a smaller, distorted node state with increasing temperature leads to global contraction of the framework. The transformation between discrete node states is noncooperative and not ordered within the lattice, i.e., a solid solution of regular and distorted nodes. Density functional theory calculations show that removal of ligands from the node can lead to distortions consistent with the Zr···Zr distances observed in the experiment PDF data. Control of the node distortion imparted by the nonlinker ligand in turn controls the NTE behavior. Furthermore, these results reveal a mechanism to control the dynamic structure of MOFs based on local chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Surfactants Used in Colloidal Synthesis Modulate Ni Nanoparticle Surface Evolution for Selective CO 2 Hydrogenation

Colloidal chemistry holds promise to prepare uniform and size-controllable pre-catalysts; however, it remains a challenge to unveil the atomic-level transition from pre-catalysts to active catalytic surfaces under the reaction conditions to enable the mechanistic design of catalysts. In this work, we report an ambient-pressure X-ray photoelectron spectroscopy study, coupled with in situ environmental transmission electron microscopy, infrared spectroscopy, and theoretical calculations, to elucidate the surface catalytic sites of colloidal Ni nanoparticles for CO 2 hydrogenation. We show that Ni nanoparticles with phosphine ligands exhibit a distinct surface evolution compared with amine-capped ones, owing to the diffusion of P under oxidative (air) or reductive (CO 2 + H 2 ) gaseous environments at elevated temperatures. The resulting NiP x surface leads to a substantially improved selectivity for CO production, in contrast to the metallic Ni, which favors CH 4 . The further elimination of surface metallic Ni sites by designing multi-step P incorporation achieves unit selectivity of CO in high-rate CO 2 hydrogenation.

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

Precise Modulation of CO 2 Sorption in Ti 8 Ce 2 –Oxo Clusters: Elucidating Lewis Acidity of the Ce Metal Sites and Structural Flexibility

Investigating the structure-property correlation in porous materials is a fundamental and consistent focus in various scientific domains, especially within sorption research. Metal oxide clusters with capping ligands, characterized by intrinsic cavities formed through specific solid-state packing, demonstrate significant potential as versatile platforms for sorption investigations due to their precisely tunable atomic structures and inherent long-range order. This study presents a series of Ti 8 Ce 2 -oxo clusters with subtle variations in coordinated linkers and explores their sorption behavior. Notably, Ti 8 Ce 2 -BA (BA denotes benzoic acid) manifests a distinctive two-step profile during CO 2 adsorption, accompanied by a hysteresis loop. This observation marks a new instance within the metal oxide cluster field. Of intrigue, the presence of unsaturated Ce(IV) sites was found to be correlated with the stepped sorption property. Moreover, the introduction of an electrophilic fluorine atom, positioned ortho or para to the benzoic acid, facilitated precise control over gate pressure and stepped sorption quantities. Advanced in-situ techniques systematically unraveled the underlying mechanism behind this unique sorption behavior. The findings elucidate that robust Lewis base-acid interactions are established between CO 2 molecules and Ce ions, consequently altering the conformation of coordinated linkers. Conversely, the F atoms primarily contribute to gate pressure variation by influencing the Lewis acidity of the Ce sites. This research advances the understanding in fabricating metal-oxo clusters with structural flexibility and provides profound insights into their host-guest interaction motifs. Furthermore, these insights hold substantial promise across diverse fields and offer valuable guidance for future adsorbent designs grounded in fundamental theories of structure-property relationships.

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

Bidentate Lewis Base Ligand-Mediated Surface Stabilization and Modulation of the Electronic Structure of CsPbBr 3 Perovskite Nanocrystals

The desorption of conventional ligands from the surface of halide perovskite nanocrystals (NCs) often causes their structural instability and the deterioration of the optoelectronic properties. To address this challenge, we present an approach of using a bidentate Lewis base ligand, namely, 1,4-bis(diphenylphosphino)butane (DBPP), for the synthesis of CsPbBr 3 NCs. The phosphine group of DBPP has a strong interaction with PbBr 2 precursor, forming a highly crystalline intermediate complex during the reaction. In the presence of oleic acid, the uncoordinated phosphine group of DBPP is converted into the phosphonium cation, which strongly binds with the surface bromide of the formed CsPbBr 3 NCs through hydrogen bonding. Density functional theory calculations suggest that DBPP can strongly bind to the undercoordinated lead and surface bromide ions of CsPbBr 3 NCs through its unprotonated and protonated phosphine groups, respectively. The robust binding of DBPP with the surface of perovskite NCs helps to preserve their structural integrity under various environmental stresses. Moreover, the electron density and energy levels are regulated in DBPP-capped CsPbBr 3 NCs via the efficient transfer of electrons from the ligands to the NCs, resulting in their improved photocatalytic CO 2 reduction performance. Furthermore, our study highlights the potential of using bidentate ligands to stabilize the surface of perovskite NCs and modulate their optical and electronic properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Warm Arctic, Cold Siberia Pattern: Role of Full Arctic Amplification Versus Sea Ice Loss Alone

The effect of future Arctic amplification (AA) on the extratropical atmospheric circulation remains unclear in modeling studies. Using a collection of coordinated atmospheric and coupled global climate model perturbation experiments, we find an emergent relationship between the high-latitude 1,000–500 hPa thickness response and an enhancement of the Siberian High in winter. This wave number-1-like sea level pressure anomaly pattern is linked to an equatorward shift of the eddy-driven jet and a dynamical cooling response in eastern Asia. Additional simulations, where AA is imposed directly into the model domain by nudging, demonstrate how the sea ice forcing is insufficient by itself to capture the vertical extent of the warming and by extension the amplitude of the response in the Siberian High. Additionally, this study demonstrates the importance of the vertical extent of the tropospheric warming over the polar cap in revealing the “warm Arctic, cold Siberia” anomaly pattern in future projections.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Mixed-phase clouds and precipitation in Southern Ocean cyclones and cloud systems observed poleward of 64°S by ship-based cloud radar and lidar

Mixed-phase clouds (MPCs), composed of both liquid and ice, are prevalent in Southern Ocean cyclones. A characterisation of these clouds on fine vertical scales is required in order to understand the microphysical processes within these clouds, and for model and satellite evaluations over this region. We investigated three examples of cloud systems collected by ship-mounted remote sensing instruments adjacent to East Antarctica at latitudes between 64°S and 69°S. These cases allow us to examine the properties of mid-level MPCs, with cloud tops between 2 and 6 km. Mid-level MPCs contain multiple layers of supercooled liquid water (SLW) embedded within ice during the passage of cyclones. SLW layers are capped by strong temperature inversions and are observed at temperatures as low as - 31°C. Convective generating cells (GCs) are present inside supercooled liquid-topped mid-level MPCs. The horizontal extent, vertical extent and maximum upward Doppler velocity of these GCs were 0.6 – 3.6 km, 0.7 – 1.0 km and 0.5 – 1.0 m s -1 , respectively, and are consistent with observations from previous lower-latitude studies. Ice precipitation is nearly ubiquitous, except in the thinnest clouds at the trailing end of the observed systems. Seeding of lower SLW layers from above leads to periods with either larger ice particles or greater ice precipitation rates. Additionally, periods of supercooled drizzle lasting up to two hours were observed toward the end of two of the three cyclone systems. This supercooled drizzle turns into predominantly ice precipitation as the result of seeding by ice clouds located above the precipitating SLW layer.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

The Energy Exascale Earth System Model Simulations With High Vertical Resolution in the Lower Troposphere

Abstract General circulation models (GCMs) are typically run with coarse vertical resolution. For example, the Energy Exascale Earth System Model (E3SM) has a vertical resolution of about 200 m in the boundary layer, which is far too coarse to resolve sharp gradients often found in the thermodynamic fields capping subtropical marine stratocumulus. In this article, we present a series of multiyear atmosphere only simulations of E3SM version 1 where we progressively increase the vertical resolution in the lower troposphere to scales approaching those often used in large eddy simulation (LES). We report marginal impacts in regards to the simulation of boundary layer clouds when vertical resolution is moderately increased, yet find significant positive impacts when the vertical resolution approaches that typically used in LES (∼10 m). In these experiments, there is a marked change in the simulated turbulence and thermodynamics which leads to more abundant marine stratocumulus. However, these simulations are burdened with excessive computational cost. They are also subject to degradations in overall climate metrics due to time step sensitivities and because some processes and parameterizations are sensitive to changes in the vertical resolution.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

The Global Fingerprint of Modern Ice-Mass Loss on 3-D Crustal Motion

Crustal motion generated by rapid ice-mass loss from Earth's glaciers and ice sheets has previously been considered in Global Navigational Satellite System (GNSS) analyses and numerical models across regions of ice retreat. However, the fingerprint of ice-mass loss is not limited to glaciated areas, but is characterized by a global pattern of 3-D crustal deformation. We compute “far-field” vertical and horizontal deformation rates that occurred in response to early 21st century mass flux from the Greenland and Antarctic Ice Sheets, global glaciers and ice caps, and associated ocean loading. We demonstrate that mass changes in the Greenland Ice Sheet and high latitude glacier systems each generated average crustal motion of 0.1–0.4 mm/yr across much of the Northern Hemisphere, with significant year-to-year variability in magnitude and direction. Horizontal motions associated with ice-mass loss exceed vertical rates in many far-field areas, and both should be considered in future analysis of GNSS measurements.

58 GEOSCIENCES↗
DOE OSTI2021

Geospace Plume and Its Impact on Dayside Magnetopause Reconnection Rate

The role a geospace plume in influencing the efficiency of magnetopause reconnection is an open question with two contrasting theories being debated. A local-control theory suggests that a plume decreases both local and global reconnection rates, whereas a global-control theory argues that the global reconnection rate is controlled by the solar wind rather than local physics. Observationally, limited numbers of point measurements from spacecraft cannot reveal whether a local change affects the global reconnection. A distributed observatory is hence needed to assess the validity of the two theories. We use THEMIS and Los Alamos National Laboratory spacecraft to identify the occurrence of a geospace plume and its contact with the magnetopause. Global evolution and morphology of the plume is traced using GPS measurements. SuperDARN is then used to monitor the distribution and the strength of dayside reconnection. Two storm-time geospace plume events are examined and show that as the plume contacts the magnetopause, the efficiency of reconnection decreases at the contact longitude. The amount of local decrease is 81% and 68% for the two events, and both values are consistent with the mass loading effect of the plume if the plume's atomic mass is ~4 amu. Reconnection in the surrounding is enhanced, and when the solar wind driving is stable, little variation is seen in the cross polar cap potential. This study illuminates a pathway to resolve the role of cold dense plasma on solar wind-magnetosphere coupling, and the observations suggest that plumes redistribute magnetopause reconnection activity without changing the global strength substantially.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Large-Scale Forcing Impact on the Development of Shallow Convective Clouds Revealed From LASSO Large-Eddy Simulations

Real-world large-eddy simulations (LES) are driven by time-varying large-scale forcings (LSF) - e.g., temperature advection, moisture advection, and subsidence - derived from large-scale weather models. This study investigates the impact of the uncertainty in LSF on real-world LES in terms of the development of shallow convection at the Atmospheric Radiation Measurement (ARM) Southern Great Plains (SGP) atmospheric observatory for the 11 June 2016 case using LES provided by the U.S. Department of Energy's LES ARM Symbiotic Simulation and Observation (LASSO) activity. The LASSO dataset provides an ensemble of LES for the selected case, which consists of LES runs that were driven by different LSF. The two contrasting LES runs investigated here generate different types of convective clouds, i.e., nonprecipitating shallow clouds and precipitating cumulus congestus, mainly due to the difference of LSF in temperature advection in the free troposphere. The temperature advection modulates the strength of the capping inversion and therefore the buoyancy of the air parcels rising from the atmospheric boundary layer (ABL). The inversion, together with large-scale updrafts, controls the penetration of the ABL thermals into the free troposphere, leading to cumulus congestus in the case of a weaker inversion. In contrast, clouds remain shallow in the case of a strong inversion. Differences between the two simulations are amplified over time, as mixed-phase clouds are formed near the top of the congestus in the weaker inversion case. Furthermore, this high dependency of LES results to LSF stresses the importance of accurate LSF by large-scale models to real-world LES simulations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Idealized Simulations of the Tropical Climate and Variability in the Single Column Atmosphere Model (SCAM): Radiative-Convective Equilibrium

To explore the interactions among column processes in the Community Atmosphere Model (CAM), the single-column version of CAM (SCAM) is integrated for 1000 days in radiative-convective equilibrium (RCE) with tropical values of boundary conditions, spanning a parameter or configuration space of model physics versions (v5 vs. v6), vertical resolution (standard and 60 levels), sea surface temperature (SST), and some interpretation-driven experiments. The simulated time-mean climate is reasonable, near observations and RCE of a cyclic cloud-resolving model. Updraft detrainment in the deep convection scheme produces distinctive grid-scale structures in humidity and cloud, which also interact with radiative transfer processes. These grid artifacts average out in multi-column RCE results reported elsewhere, illustrating the nuts-and-bolts interpretability that SCAM adds to the hierarchy of model configurations. Multi-day oscillations of precipitation arise from descent of warm convection-capping layers starting near the tropopause, eventually reset by a burst of convective deepening. Experiments reveal how these oscillations depend critically on an internal parameter that controls the number of neutral buoyancy levels allowed for determining cloud top and computing dilute convective available potential energy in the deep convection scheme, and merely modified a little by disabling cloud-base radiation (heating of cloud base). This strong dependence of transient behavior in 1D on this parameter will be tested in the second part of this work, in which SCAM is coupled to a parameterized dynamics of two-dimensional, linearized gravity wave, and in the 3D simulations in future study.

Meteorology & Atmospheric Sciences↗
DOE OSTI2022

Super‐Droplet Method to Simulate Lagrangian Microphysics of Nuclear Fallout in a Homogeneous Cloud

Abstract Nuclear detonations produce hazardous local and global particles or fallout. Predicting fallout size, chemical components, and location is necessary to inform officials and determine immediate guidance for the public. However, existing nuclear detonation fallout models prescribe the particle size distributions based on limited observations. In this work, we apply the super‐droplet method, which is a numerical modeling technique developed for cloud microphysics, to simulate size distributions of particles in a mushroom cloud formed post‐detonation of a nuclear device. We model fallout formation and evolution with homogeneous nucleation and condensation of a single species and a Monte Carlo coagulation algorithm. We verify the numerical methods representing coagulation and condensation processes against analytical test problems. Additionally, we explore several scenarios for the integral system mass and yield in equivalent kilotons (kt) of TNT (trinitrotoluene). The fallout size distribution median diameter d pg follows a scaling law based on the integral system mass m v 0 kg and yield Y kt: nm. We test the effect of cloud turbulence, enhanced nucleation and growth, and vapor volatility with a sensitivity study. The range in median diameter predictions for simulations of historical tests performed over the Pacific encompass the measurements of particles sampled from the cloud caps. Predicted median particle size ranges up to 217, 123, 86, and 35 nm for historical tests with yields of 0.2, 0.7, 2, and 10 Mt, respectively. This work can be expanded in many different directions to build a more predictive model for fallout formation.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2022

The Curiosity Rover's Exploration of Glen Torridon, Gale Crater, Mars: An Overview of the Campaign and Scientific Results

The Mars Science Laboratory rover, Curiosity, explored the clay mineral-bearing Glen Torridon region for 1 Martian year between January 2019 and January 2021, including a short campaign onto the Greenheugh pediment. The Glen Torridon campaign sought to characterize the geology of the area, seek evidence of habitable environments, and document the onset of a potentially global climatic transition during the Hesperian era. Curiosity roved 5 km in total throughout Glen Torridon, from the Vera Rubin ridge to the northern margin of the Greenheugh pediment. Curiosity acquired samples from 11 drill holes during this campaign and conducted the first Martian thermochemolytic-based organics detection experiment with the Sample Analysis at Mars instrument suite. The lowest elevations within Glen Torridon represent a continuation of lacustrine Murray formation deposits, but overlying widespread cross bedded sandstones indicate an interval of more energetic fluvial environments and prompted the definition of a new stratigraphic formation in the Mount Sharp group called the Carolyn Shoemaker formation. Glen Torridon hosts abundant phyllosilicates yet remains compositionally and mineralogically comparable to the rest of the Mount Sharp group. Glen Torridon samples have a great diversity and abundance of sulfur-bearing organic molecules, which are consistent with the presence of ancient refractory organic matter. The Glen Torridon region experienced heterogeneous diagenesis, with the most striking alteration occurring just below the Siccar Point unconformity at the Greenheugh pediment. Results from the pediment campaign show that the capping sandstone formed within the Stimson Hesperian aeolian sand sea that experienced seasonal variations in wind direction.

58 GEOSCIENCES↗
DOE OSTI2024

Boundary Layer Structures Over the Northwest Atlantic Derived From Airborne High Spectral Resolution Lidar and Dropsonde Measurements During the ACTIVATE Campaign

The Planetary Boundary Layer height (PBLH) is essential for studying PBL and ocean-atmosphere interactions. Marine PBL is usually defined to include a mixed layer (ML) and a capping inversion layer. The ML height (MLH) estimated from the measurements of aerosol backscatter by a lidar was usually compared with PBLH determined from radiosondes/dropsondes in the past, as the PBLH is usually similar to MLH in nature. However, PBLH can be much greater than MLH for decoupled PBL. Here, in this study, we evaluate the retrieved MLH from an airborne lidar (HSRL-2) by utilizing 506 co-located dropsondes during the ACTIVATE field campaign over the Northwest Atlantic from 2020 to 2022. First, we define and determine the MLH and PBLH from the temperature and humidity profiles of each dropsonde, and find that the MLH values from HSRL-2 and dropsondes agree well with each other, with a coefficient of determination of 0.66 and median difference of 18 m. In contrast, the HSRL-2 MLH data do not correspond to dropsonde-derived PBLH, with a median difference of -47 m. Therefore, we modify the current operational and automated HSRL-2 wavelet-based algorithm for PBLH retrieval, decreasing the median difference significantly to -8 m. Further data analysis indicates that these conclusions remain the same for cases with higher or lower cloud fractions, and for decoupled PBLs. These results demonstrate the potential of using HSRL-2 aerosol backscatter data to estimate both marine MLH and PBLH and suggest that lidar-derived MLH should be compared with radiosonde/dropsonde-determined MLH (not PBLH) in general.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Mountainous Floodplain Connectivity in Response to Hydrological Transitions

In mountainous watersheds, floodplain sediments are typically characterized by gravel bed layers capped by an overlying soil unit that serves as a hotspot for biogeochemical reactivity. However, the influence of soil biogeochemistry on gravel bed underflow composition remains unclear, especially during hydrological transitions that alter the vertical connectivity between overlaying soils and the underlying gravel bed. This study investigates these dynamics by measuring hydraulic gradients and water compositions over three hydrological years in a typical mountainous, low-order stream floodplain in the Upper Colorado River Basin. Results indicate that the timing of hydrological conditions strongly influences the vertical exchanges that control water quality. Specifically, during flooding events such as beaver ponding, that induce downward flushing of the soil, anoxic conditions prevalent in the biogeochemically active soil are transferred downstream via gravel bed underflow. Conversely, snowmelt and drought conditions increase oxic conditions in the gravel bed due to diminished hydrological connectivity with the overlying soil. To compare water quality response to hydrological transitions across similar floodplain environments, we propose a conceptual model that quantifies the inundation-induced flushing of soil porewater to measure solute exchange efficiency with the gravel bed solute convergence efficiency (SCE). This model provides a framework for quantifying biogeochemical processes in hydrological underflow systems, which is critical for water and elemental budgets in these globally important mountainous ecosystems.

58 GEOSCIENCES↗
DOE OSTI2025

Statistical Survey of Magnetic Flux Integral Quantities in Saturn's Magnetosphere

Magnetic flux integral quantities (e.g., flux tube entropy, flux tube content) are conserved quantities under the frozen-in assumption. The change of these quantities often indicates the violation of the frozen-in condition (e.g., interchange instability). In this study, we combine the Cassini CAPS and CHEMS moments data with a steady-state magnetic field model (i.e., the Caudal model) to estimate the flux tube mass and flux tube entropy in Saturn's magnetosphere. Our statistical survey found that the flux tube mass rapidly decreases with radial distance away from Saturn in the inner magnetosphere and roughly levels out in the middle magnetosphere. This indicates that the radial transport processes could occur via a double-reconnection process in the inner magnetosphere, while the radial transport processes appear to be more advective in the middle magnetosphere. Notice that Saturn's magnetosphere is stabilized by a radially increasing profile of flux tube entropy and destabilized by a radially decreasing profile of flux tube content. In this study, we also estimate the expected penetration location by using the flux tube interchange stability formalism developed by Southwood and Kivelson (1987, https://doi.org/10.1029/ja092ia01p00109). The results show that flux tube entropy can play a crucial role in braking the injections, while the flux tube content has a relatively smaller influence on the injected flux tube, being consistent with our previous case study by Wing et al. (2022, https://doi.org/10.3847/1538-4357/ac85b2).

Ma, Xuanye [Embry-Riddle Aeronautical University, ↗
DOE OSTI2020

In situ nanoscale imaging of moiré superlattices in twisted van der Waals heterostructures

Abstract Direct visualization of nanometer-scale properties of moiré superlattices in van der Waals heterostructure devices is a critically needed diagnostic tool for study of the electronic and optical phenomena induced by the periodic variation of atomic structure in these complex systems. Conventional imaging methods are destructive and insensitive to the buried device geometries, preventing practical inspection. Here we report a versatile scanning probe microscopy employing infrared light for imaging moiré superlattices of twisted bilayers graphene encapsulated by hexagonal boron nitride. We map the pattern using the scattering dynamics of phonon polaritons launched in hexagonal boron nitride capping layers via its interaction with the buried moiré superlattices. We explore the origin of the double-line features imaged and show the mechanism of the underlying effective phase change of the phonon polariton reflectance at domain walls. The nano-imaging tool developed provides a non-destructive analytical approach to elucidate the complex physics of moiré engineered heterostructures.

77 NANOSCIENCE AND NANOTECHNOLOGY↗