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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2011

Exciton confinement in homo- and heteroepitaxial ZnO/Zn{sub 1-x}Mg{sub x}O quantum wells with x < 0.1

ZnO/Zn{sub 1-x}Mg{sub x}O single quantum well (SQW) structures with well widths d{sub W} between 1.1 nm and 10.4 nm were grown by plasma-assisted molecular beam epitaxy both heteroepitaxially on c-plane sapphire and homoepitaxially on (0001)-oriented bulk ZnO. A significantly reduced Mg incorporation in the top barrier related to the generation of stacking faults is observed for heteroepitaxial samples. Exciton localization is observed for both types of samples, while an enhancement of the exciton binding energy compared to bulk ZnO is only found for homoepitaxial SQWs for 2 nm {<=} d{sub W} {<=} 4 nm. Consistently, for homoepitaxial samples, the carrier dynamics are mainly governed by radiative recombination and carrier cooling processes at temperatures below 170 K, whereas thermally activated non-radiative recombination dominates in heteroepitaxial samples. The effects of polarization-induced electric fields are concealed for Mg concentrations x < 0.1 due to the reduction of the exciton binding energy, the screening by residual carriers as well as the asymmetric barrier structure in heteroepitaxial wells.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Rapid fusion method for the determination of refractory thorium and uranium isotopes in soil samples

Recently, approximately 80% of participating laboratories failed to accurately determine uranium isotopes in soil samples in the U.S Department of Energy Mixed Analyte Performance Evaluation Program (MAPEP) Session 30, due to incomplete dissolution of refractory particles in the samples. Failing laboratories employed acid dissolution methods, including hydrofluoric acid, to recover uranium from the soil matrix. The failures illustrate the importance of rugged soil dissolution methods for the accurate measurement of analytes in the sample matrix. A new rapid fusion method has been developed by the Savannah River National Laboratory (SRNL) to prepare 1-2 g soil sample aliquots very quickly, with total dissolution of refractory particles. Soil samples are fused with sodium hydroxide at 600 ºC in zirconium crucibles to enable complete dissolution of the sample. Uranium and thorium are separated on stacked TEVA and TRU extraction chromatographic resin cartridges, prior to isotopic measurements by alpha spectrometry on cerium fluoride microprecipitation sources. Plutonium can also be separated and measured using this method. Batches of 12 samples can be prepared for measurement in <5 hours.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Effect of dislocation pile-up on size-dependent yield strength in finite single-crystal micro-samples

Recent research has explained that the steeply increasing yield strength in metals depends on decreasing sample size. In this work, we derive a statistical physical model of the yield strength of finite single-crystal micro-pillars that depends on single-ended dislocation pile-up inside the micro-pillars. We show that this size effect can be explained almost completely by considering the stochastic lengths of the dislocation source and the dislocation pile-up length in the single-crystal micro-pillars. The Hall–Petch-type relation holds even in a microscale single-crystal, which is characterized by its dislocation source lengths. Our quantitative conclusions suggest that the number of dislocation sources and pile-ups are significant factors for the size effect. They also indicate that starvation of dislocation sources is another reason for the size effect. Moreover, we investigated the explicit relationship between the stacking fault energy and the dislocation “pile-up” effect inside the sample: materials with low stacking fault energy exhibit an obvious dislocation pile-up effect. Our proposed physical model predicts a sample strength that agrees well with experimental data, and our model can give a more precise prediction than the current single arm source model, especially for materials with low stacking fault energy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Modeling the Air Flow in the 3410 Building Filtered Exhaust Stack System

Additional ventilation capacity has been designed for the 3410 Building filtered exhaust stack system. The updated system will increase the number of fans from two to three and will include ductwork to incorporate the new fan into the existing stack. Stack operations will involve running various two-fan combinations at any given time. The air monitoring system of the existing two-fan stack was previously found to be in compliance with the ANSI/HPS N13.1-1999 standard, however it is not known if the modified (three-fan) system will comply. Subsequently, a full-scale three-dimensional (3-D) computational fluid dynamics (CFD) model of the modified stack system has been created to examine the sampling location for compliance with the standard. The CFD modeling results show good agreement with testing data collected from the existing 3410 Building stack and suggest that velocity uniformity and flow angles will remain well within acceptance criteria when the third fan and associated ductwork is installed. This includes two-fan flow rates up to 31,840 cfm for any of the two-fan combinations. For simulation cases in which tracer gas and particles are introduced in the main duct, the model predicts that both particle and tracer gas coefficients of variance (COVs) may be larger than the acceptable 20 percent criterion of the ANSI/HPS N13.1-1999 standard for each of the two-fan, 31,840 cfm combinations. Simulations in which the tracers are introduced near the fans result in improved, though marginally acceptable, COV values for the tracers. Due to the remaining uncertainty that the stack will qualify with the addition of the third fan and high flow rates, a stationary air blender from Blender Products, Inc. is considered for inclusion in the stack system. A model of the air blender has been developed and incorporated into the CFD model. Simulation results from the CFD model that includes the air blender show striking improvements in tracer gas mixing and tracer particle dispersion. The results of these simulations suggest the air blender should be included in the stack system to ensure qualification of the stack.

3410 Building↗
DOE OSTI2022

Establishing Self-Dopant Design Principles from Structure–Function Relationships in Self-n-Doped Perylene Diimide Organic Semiconductors

Self-doping is a particular doping method that has been applied to a wide range of organic semiconductors. However, there is a lack of understanding regarding the relationship between dopant structure and function. A structurally diverse series of self-n-doped perylene diimides (PDIs) is investigated to study the impact of steric encumbrance, counterion selection, and dopant/PDI tether distance on functional parameters such as doping, stability, morphology, and charge-carrier mobility. The studies show that self-n-doping is best enabled by the use of sterically encumbered ammoniums with short tethers and Lewis basic counterions. Additionally, water is found to inhibit doping, which concludes that thermal degradation is merely a phenomenological feature of certain dopants, and that residual solvent evaporation is the primary driver of thermally activated doping. In situ grazing-incidence wide-angle X-ray scattering studies show that sample annealing increases the π–π stacking distance and shrinks grain boundaries for improved long-range ordering. These features are then correlated to contactless carrier-mobility measurements with time-resolved microwave conductivity before and after thermal annealing. In conclusion, the collective relationships between structural features and functionality are finally used to establish explicit self-n-dopant design principles for the future design of materials with improved functionality.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Paw-Net: Stacking ensemble deep learning for segmenting scanning electron microscopy images of fine-grained shale samples

Segmentation of scanning electron microscopy (SEM) images is critical yet time-consuming for geological analyses, as it needs to differentiate the boundaries for different mineral objects to facilitate subsequent analyses, such as porosity calculation. Recently, various machine learning methods, especially convolutional neural networks (CNNs), have been explored to segment SEM images of fine-grained shale samples. However, we found that general CNNs do not yield optimal performance due to insufficient training data and imbalanced objects in SEM images. This work has revised the U-Net architecture, a popular approach for biomedical image analyses, by incorporating a loss function that addresses the imbalance issue. Furthermore, we used the ensemble learning method to train multiple models and combined the results to improve the overall performance of segmentation. We prepared 2162 sub-images from raw SEM images in our experiments and divided them into training, validation, and testing datasets. The overall results show that our method improves the average Intersection over Union (IOU) of mineral objects from 0.49 to 0.58, compared to the original U-Net model. Our method can clearly distinguish each object from others with boundaries, even in highly imbalanced images. Training our models takes less than three minutes using a single GPU, while manual labeling can take up to three hours for each image. Furthermore, the method helps geoscientists gain insights quickly and effectively by building neural network models from a small dataset of SEM images.

58 GEOSCIENCES↗
DOE OSTI2026

Adaptive optical correction for in vivo two-photon fluorescence microscopy with neural fields

Adaptive optics restore ideal imaging performance in complex samples by measuring and correcting optical aberrations but often require custom-built microscopes with carefully aligned wavefront sensing/shaping devices and can be susceptible to sample motion. Here we describe NeAT, a computational framework using neural fields for adaptive optics two-photon fluorescence microscopy. NeAT estimates wavefront aberration and recovers sample structure from a 3D image stack without requiring external datasets for training. Incorporating motion correction in learning and correcting conjugation errors commonly found in commercial microscopes, NeAT is designed for deployment in biological laboratories for in vivo imaging. We validate NeAT’s performance using a custom-built microscope with a wavefront sensor under varying signal-to-noise ratios, aberration and motion conditions. With a commercial microscope, we demonstrate real-time aberration correction for in vivo morphological and functional imaging in the living mouse brain, with NeAT improving the signal and accuracy of glutamate and calcium imaging of synapses and neurons.

Kang, Iksung↗
DOE OSTI2012

HERSCHEL DETECTION OF DUST EMISSION FROM UV-LUMINOUS STAR-FORMING GALAXIES AT 3.3 {approx}< z {approx}< 4.3

We report the Herschel/SPIRE detection of dust emission arising from UV-luminous (L {approx}> L*) star-forming galaxies at 3.3 {approx}< z {approx}< 4.3. Our sample of 1913 Lyman break galaxy (LBG) candidates is selected over an area of 5.3 deg{sup 2} in the Booetes field of the NOAO Deep Wide-Field Survey. This is one of the largest samples of UV-luminous galaxies at this epoch and enables an investigation of the bright end of the galaxy luminosity function. We divide our sample into three luminosity bins and stack the Herschel/SPIRE data to measure the average spectral energy distribution (SED) of LBGs at far-infrared (FIR) wavelengths. We find that these galaxies have average IR luminosities of (3-5) Multiplication-Sign 10{sup 11} L{sub Sun} and 60%-70% of their star formation obscured by dust. The FIR SEDs peak at {lambda}{sub rest} {approx}> 100 {mu}m suggesting dust temperatures (T{sub d} = 27-30 K) significantly colder than that of local galaxies of comparable IR luminosities. The observed IR-to-UV luminosity ratio (IRX {identical_to} L{sub IR}/L{sub UV}) is low ( Almost-Equal-To 3-4) compared with that observed for z Almost-Equal-To 2 LBGs (IRX{sub z{approx}2} Almost-Equal-To 7.1 {+-} 1.1). The correlation between the slope of the UV continuum and IRX for galaxies in the two lower luminosity bins suggests dust properties similar to those of local starburst galaxies. However, the galaxies in the highest luminosity bin appear to deviate from the local relation, suggesting that their dust properties may differ from those of their lower-luminosity and low-redshift counterparts. We speculate that the most UV-luminous galaxies at this epoch are being observed in a short-lived and young evolutionary phase.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Probing star formation in the dense environments of z 1 lensing haloes aligned with dusty star-forming galaxies detected with the South Pole Telescope

We probe star formation in the environments of massive ~1013M⊙ dark matter halos at redshifts of z~1. This star formation is linked to a sub-millimetre clustering signal which we detect in maps of the Planck High Frequency Instrument that are stacked at the positions of a sample of high-redshift (z>2) strongly-lensed dusty star-forming galaxies (DSFGs) selected from the South Pole Telescope (SPT) 2500 deg2 survey. The clustering signal has sub-millimetre colours which are consistent with the mean redshift of the foreground lensing halos (z~1). We report a mean excess of star formation rate (SFR) compared to the field, of (2700±700)M⊙yr-1 from all galaxies contributing to this clustering signal within a radius of 3.5' from the SPT DSFGs. The magnitude of the Planck excess is in broad agreement with predictions of a current model of the cosmic infrared background. The model predicts that 80% of the excess emission measured by Planck originates from galaxies lying in the neighbouring halos of the lensing halo. Using Herschel maps of the same fields, we find a clear excess, relative to the field, of individual sources which contribute to the Planck excess. The mean excess SFR compared to the field is measured to be (370±40)M⊙yr-1 per resolved, clustered source. Our findings suggest that the environments around these massive z~1 lensing halos host intense star formation out to about 2Mpc. The flux enhancement due to clustering should also be considered when measuring flux densities of galaxies in Planck data.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

The late-time light curve of the Type Ia supernova SN 2011fe

We present late-time optical R-band imaging data from the Palomar Transient Factory (PTF) for the nearby Type Ia supernova SN 2011fe. The stacked PTF light curve provides densely sampled coverage down to R ≃ 22 mag over 200–620 d past explosion. Combining with literature data, we estimate the pseudo-bolometric light curve for this event from 200 to 1600 d after explosion, and constrain the likely near-infrared (Near-IR) contribution. This light curve shows a smooth decline consistent with radioactive decay, except over ~ 450 to ~ 600 d where the light curve appears to decrease faster than expected based on the radioactive isotopes presumed to be present, before flattening at around 600 d. We model the 200–1600 d pseudo-bolometric light curve with the luminosity generated by the radioactive decay chains of 56 Ni, 57 Ni and 55 Co, and find it is not consistent with models that have full positron trapping and no infrared catastrophe (IRC); some additional energy escape other than optical/near-IR photons is required. However, the light curve is consistent with models that allow for positron escape (reaching 75 per cent by day 500) and/or an IRC (with 85 per cent of the flux emerging in non-optical wavelengths by day 600). The presence of the 57 Ni decay chain is robustly detected, but the 55 Co decay chain is not formally required, with an upper mass limit estimated at 0.014 M ⊙ . The measurement of the 57 Ni/ 56 Ni mass ratio is subject to significant systematic uncertainties, but all of our fits require a high ratio >0.031 (>1.3 in solar abundances).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Suppression of the valence transition in solution-grown single crystals of Eu 2 Pt 6 Al 15

Here, the study of Eu intermetallic compounds has allowed the exploration of valence fluctuations and transitions in 4⁢𝑓 electron systems. Recently, a Eu 2 ⁢Pt 6 ⁢Al 15 phase synthesized by arc-melting followed by a thermal treatment was reported M. Radzieowski et al. [J. Am. Chem. Soc. 140, 8950 (2018)], which undergoes a transition upon cooling below 45 K that was interpreted as a valence transition from Eu 2+ to Eu 3+ . In this paper, we present the discovery of another polymorph of Eu 2 ⁢Pt 6 ⁢Al 15 obtained by high temperature solution growth, which presents different physical properties than the arc-melted polycrystalline sample. Despite the similarities in crystal structure and chemical composition, the Eu valence transition is almost fully suppressed in the solution-grown crystals, allowing the moments associated with the Eu 2+ state to order antiferromagnetically at around 14 K. A detailed analysis of the crystal structure using single crystal x-ray diffraction reveals that, although the solution grown crystals are built from the same constituent layers as the arc-melted samples, these layers present a different stacking. The effect of different thermal treatments is also studied. Different anneal procedures did not result in significant changes in the intrinsic properties, and only by arc-melting and quenching the crystals we were able to convert them into the previously reported polymorph.

Schmidt, Juan [Ames Laboratory, and Iowa State Uni↗
DOE OSTI2022

Deformation behavior of crystalline/amorphous Al-Si nanocomposites with nanolaminate or nanofibrous microstructures

Deformation mechanisms in sputter-deposited crystalline Al/amorphous Si nanocomposites with nanolaminate or nanofibrous morphology are characterized by nanoindentation, micropillar compression testing and transmission electron microscopy (TEM). The nanofibrous composite having crystalline Al nanofibers with ~40–50 nm in length and 15–20 nm in diameter embedded in amorphous Si exhibits strain hardening to a maximum flow stress of 2.9 GPa and no shear band (SB) formation in compression up to plastic strain exceeding 24%. On the other hand, nanolaminate composite that is composed of 80 nm crystalline Al layers and 20 nm amorphous Si layers exhibits catastrophic SBs starting at plastic strains in the range of 5–10%. Cross-sectional TEM of the deformed samples reveals a high density of stacking faults and twin boundaries in Al nanofibers and no microshear bands in the nanofibrous composite, suggesting plastic deformation in amorphous Si phase and crystalline Al nanofibers. Further, molecular dynamics simulations revealed that the plastic deformation in amorphous Si phase in the cosputtered films could be favored by the decrease in flow strength of amorphous Si with increasing Al solute concentration trapped in Si.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Qualification of ANSI/HPS N13.1-2011 Mixing Criteria by Computational Fluid Dynamics Modeling for the 3420 Building Fan Addition and Increased Ventilation Capacity

Additional ventilation capacity has been designed for the 3420 Building filtered exhaust stack system. The updated system will increase the number of fans from three to four and will include ductwork to integrate the new fan into the existing stack. Stack operations will involve running various fan combinations at any given time. The air monitoring system of the existing three-fan stack was previously found to comply with the ANSI/HPS N13.1-1999 standard. Full-scale, three-dimensional computational fluid dynamics (CFD) modeling was used to evaluate the modified four-fan system for compliance with the ANSI/HPS N13.1-2011 standard, which essentially is equivalent to the ANSI/HPS N13.1-1999 standard. The four mixing criteria evaluated are 1) flow angle, 2) velocity, 3) gas tracer, and 4) particle tracer. Benchmarking of the CFD modeling methodology showed good agreement with previous testing used to qualify the stack, and modeling of the existing three-fan system showed good agreement with test data collected from the 3420 Building stack. Modeling was performed to develop a suitable four-fan design. Initial modeling of the four-fan design and basic ductwork showed that flow angles and velocity uniformity were acceptable; however, the gas tracer and particle tracer mixing results were not acceptable. To meet ANSI/HPS N13.1-2011 criteria, an air blender was added to the stack design. The modeled final four-fan design, which meets the all the mixing criteria, included an air blender that is oversized relative to the main duct diameter to minimize the additional pressure drop created.

3420↗
DOE OSTI2025

Evidence for large baryonic feedback at low and intermediate redshifts from kinematic Sunyaev-Zel’dovich observations with ACT and DESI photometric galaxies

Recent advances in cosmological observations have provided an unprecedented opportunity to investigate the distribution of baryons relative to the underlying matter. In this work, we show that the gas is more extended than the dark matter, and the amount of baryonic feedback at $z \lesssim 1$ disfavors low-feedback models such as that of state-of-the-art hydrodynamical simulation IllustrisTNG compared with high-feedback models such as that of the original Illustris simulation. This has important implications for bridging the gap between theory and observations and understanding galaxy formation and evolution. Furthermore, a better grasp of the baryon-dark matter link is critical to future cosmological analyses, which are currently impeded by our limited knowledge of baryonic feedback. Here, we measure the kinematic Sunyaev-Zel'dovich (kSZ) effect from the Atacama Cosmology Telescope (ACT), stacked on the luminous red galaxy (LRG) sample of the Dark Energy Spectroscopic Instrument (DESI) imaging survey. This is the first analysis to use photometric redshifts for reconstructing galaxy velocities. Due to the large number of galaxies comprising the DESI imaging survey, this is the highest signal-to-noise stacked kSZ measurement to date: we detect the signal at 13$σ$, finding strong evidence that the gas is more spread out than the dark matter, as well as a preference for larger feedback compared to some commonly used state-of-the-art hydrodynamical simulations. Here, our work opens up the possibility of recalibrating large hydrodynamical simulations using the kSZ effect. In addition, our findings highlight the importance of properly accounting for baryonic feedback with future surveys such as LSST through direct probes such as the kSZ, and shed light on long-standing enigmas in astrophysics, such as the “missing baryon” problem.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

The role of sample–window coupling in shock temperature experiments

Radiometric studies of opaque materials under shock compression probe a sample–window interface that may be very different than the bulk state. Subtle experimental details, particularly an initial sample–window gap vs an adhesively bonded stack, have tremendous influence on measured temperature. This work experimentally tests gapped vs bonded targets and theoretically investigates observed differences in the measured temperature. The results indicate that perturbations created by a thin adhesive are smaller than those suggested by a previous work, whereas sample–window gaps alter the measured state more significantly than that previously realized.

Adhesives↗
DOE OSTI2015

The IceCube Neutrino Observatory, the Pierre Auger Observatory and the Telescope Array: Joint Contribution to the 34th International Cosmic Ray Conference (ICRC 2015)

We have conducted three searches for correlations between ultra-high energy cosmic rays detected by the Telescope Array and the Pierre Auger Observatory, and high-energy neutrino candidate events from IceCube. Two cross-correlation analyses with UHECRs are done: one with 39 cascades from the IceCube `high-energy starting events' sample and the other with 16 high-energy `track events'. The angular separation between the arrival directions of neutrinos and UHECRs is scanned over. The same events are also used in a separate search using a maximum likelihood approach, after the neutrino arrival directions are stacked. To estimate the significance we assume UHECR magnetic deflections to be inversely proportional to their energy, with values $3^\circ$, $6^\circ$ and $9^\circ$ at 100 EeV to allow for the uncertainties on the magnetic field strength and UHECR charge. A similar analysis is performed on stacked UHECR arrival directions and the IceCube sample of through-going muon track events which were optimized for neutrino point-source searches.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS2006

Thermal Conductivity of Ultem(TradeMark)/Carbon Nanofiller Blends

In an effort to improve polymer thermal conductivity (TC), Ultem(TradeMark) 1000 was compounded with nano-fillers of carbon allotropes. Ultem(TradeMark) 1000 was selected since it is both solution and melt processable. As-received and modified multiwalled carbon nanotubes (MWCNTs), vapor grown carbon nanofibers (CNF) and expanded graphite (EG) were investigated. MWCNTs were modified by functionalizing the surface through oxidization with concentrated acids, mixing with an alkyl bromide, and addition of alkyl and phosphorus compounds after initial treatment with n-butyl lithium. Functionalization was performed to improve the TC compatibility between the resin and MWCNTs. It was postulated that this may provide an improved interface between the MWCNT and the polymer which would result in enhanced TC. The nano-fillers were mixed with Ultem(TradeMark) 1000 in the melt and in solution at concentrations ranging from 5 to 40 wt%. Ribbons were extruded from the blends to form samples where the nano-fillers were aligned to some degree in the extrusion direction. Samples were also fabricated by compression molding resulting in random orientation of the nano-fillers. Thermal properties of the samples were evaluated by Differential Scanning Calorimetry (DSC) and Thermal Gravimetric Analyzer (TGA). Tensile properties of aligned samples were determined at room temperature. The specimens were cut from the ribbons in the extrusion direction; hence the nano-fillers are somewhat aligned in the direction of stress. Typically it was observed that melt mixed samples exhibited superior mechanical properties compared to solution mixed samples. As expected, increased filler loading led to increased modulus and decreased elongation with respect to the neat polymer. The degree of dispersion and alignment of the nano-fillers was determined by high-resolution scanning electron microscopy (HRSEM). HRSEM of the ribbons revealed that the MWCNTs and CNFs were predominantly aligned in the flow direction. The TC of the samples was measured using a Nanoflash(TradeMark) instrument. Since the MWCNTs and CNF are anisotropic, the TC was expected to be different in the longitudinal (parallel to the nanotube and fiber axis) and transverse (perpendicular to the nanotube and fiber axis) directions. The extruded ribbons provided samples for transverse TC measurements. However, to determine the TC in the longitudinal direction, the ribbons needed to be stacked and molded under 1.7 MPa and 270 C. Samples were then obtained by cutting the molded block with a diamond saw. The largest TC improvement was achieved for aligned samples when the measurement was performed in the direction of MWCNT and CNF alignment (i.e. longitudinal axis). Unaligned samples also showed a significant improvement in TC and may be potentially useful in applications when it is not possible to align the nano-filler. The results of this study will be presented.

Ghose, S.↗
DOE OSTI2015

Stacking-dependent interlayer coupling in trilayer MoS 2 with broken inversion symmetry

The stacking configuration in few-layer two-dimensional (2D) materials results in different structural symmetries and layer-to-layer interactions, and hence it provides a very useful parameter for tuning their electronic properties. For example, ABA-stacking trilayer graphene remains semimetallic similar to that of monolayer, while ABC-stacking is predicted to be a tunable band gap semiconductor under an external electric field. Such stacking dependence resulting from many-body interactions has recently been the focus of intense research activities. Here we demonstrate that few-layer MoS 2 samples grown by chemical vapor deposition with different stacking configurations (AA, AB for bilayer; AAB, ABB, ABA, AAA for trilayer) exhibit distinct coupling phenomena in both photoluminescence and Raman spectra. By means of ultralow-frequency (ULF) Raman spectroscopy, we demonstrate that the evolution of interlayer interaction with various stacking configurations correlates strongly with layer-breathing mode (LBM) vibrations. Our ab initio calculations reveal that the layer-dependent properties arise from both the spin–orbit coupling (SOC) and interlayer coupling in different structural symmetries. Lastly, such detailed understanding provides useful guidance for future spintronics fabrication using various stacked few-layer MoS 2 blocks.

36 MATERIALS SCIENCE↗