Search NASA⌕ Search

SEARCH · Search NASA

Results for “hexagonal”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Study on hexagonal super-lattice pattern with surface discharges in dielectric barrier discharge

The hexagonal super-lattice pattern with surface discharges (SDs) in dielectric barrier discharge is investigated by intensified charge-coupled device. The pattern is composed of the bright spot and the dim spot which is located at the centroid of surrounding other three bright spots. The phase diagram of the pattern as a function of the gas pressure and the argon concentration is given. The instantaneous images indicate that the bright spot emerging at the front of the current pulse is formed by the volume discharge (VD), and dim spot occurring at the tail of the current pulse is formed by the SD. The above result shows that the SD is induced by the VD. The simulation of the electric fields of wall charges accumulated by VDs confirms that the dim spot is formed by the confluences of the SDs of surrounding other three bright spots. By using optical emission spectrum method, both the molecule vibration temperature and electron density of the SD are larger than that of the VD.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Direct growth of graphene on in situ epitaxial hexagonal boron nitride flakes by plasma-assisted molecular beam epitaxy

Hexagonal boron nitride (h-BN) single-crystal domains were grown on cobalt (Co) substrates at a substrate temperature of 850–900 °C using plasma-assisted molecular beam epitaxy. Three-point star shape h-BN domains were observed by scanning electron microscopy, and confirmed by Raman and X-ray photoelectron spectroscopy. The h-BN on Co template was used for in situ growth of multilayer graphene, leading to an h-BN/graphene heterostructure. Carbon atoms preferentially nucleate on Co substrate and edges of h-BN and then grow laterally to form continuous graphene. Further introduction of carbon atoms results in layer-by-layer growth of graphene on graphene and lateral growth of graphene on h-BN until it may cover entire h-BN flakes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Decoupled electron and phonon transports in hexagonal boron nitride-silicene bilayer heterostructure

Calculations based on the density functional theory and empirical molecular dynamics are performed to investigate interlayer interaction, electronic structure and thermal transport of a bilayer heterostructure consisting of silicene and hexagonal boron nitride (h-BN). In this heterostructure, the two layers are found to interact weakly via a non-covalent binding. As a result, the Dirac cone of silicene is preserved with the Dirac cone point being located exactly at the Fermi level, and only a small amount of electrons are transferred from h-BN to silicene, suggesting that silicene dominates the electronic transport. Molecular dynamics calculation results demonstrate that the heat current along h-BN is six times of that along silicene, suggesting that h-BN dominates the thermal transport. This decoupled role of h-BN and silicene in thermal and electronic transport suggests that the BN-silicene bilayer heterostructure is promising for thermoelectric applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Magnetic tunnel junctions with monolayer hexagonal boron nitride tunnel barriers

We report on the integration of atomically thin 2D insulating hexagonal boron nitride (h-BN) tunnel barriers into Co/h-BN/Fe magnetic tunnel junctions (MTJs). The h-BN monolayer is directly grown by chemical vapor deposition on Fe. The Conductive Tip Atomic Force Microscopy (CT-AFM) measurements reveal the homogeneity of the tunnel behavior of our h-BN layers. As expected for tunneling, the resistance depends exponentially on the number of h-BN layers. The h-BN monolayer properties are also characterized through integration into complete MTJ devices. A Tunnel Magnetoresistance of up to 6% is observed for a MTJ based on a single atomically thin h-BN layer.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Effect of additional elements on compositional modulated atomic layered structure of hexagonal Co{sub 80}Pt{sub 20} alloy films with superlattice diffraction

The effect of additional element on compositionally modulated atomic layered structure of hexagonal Co{sub 80}Pt{sub 20} alloy films with superlattice diffraction was investigated. In this study it is found that the addition of Cr or W element to Co{sub 80}Pt{sub 20} alloy film shows less deterioration of hcp stacking structure and compositionally modulated atomic layer stacking structure as compared to Si or Zr or Ti with K{sub u} of around 1.4 or 1.0 × 10{sup 7} erg/cm{sup 3} at 5 at.% addition. Furthermore, for O{sub 2} addition of O{sub 2} ≥ 5.0 × 10{sup −3} Pa to CoPt alloy, compositionally modulated atomic layer stacking structure will be deteriorated with enhancement of formation of hcp stacking structure which leads higher K{sub u} of 1.0 × 10{sup 7} erg/cm{sup 3}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Tuning dissociation using isoelectronically doped graphene and hexagonal boron nitride: Water and other small molecules

Novel uses for 2-dimensional materials like graphene and hexagonal boron nitride (h-BN) are being frequently discovered especially for membrane and catalysis applications. Still however, a great deal remains to be understood about the interaction of environmentally and industrially relevant molecules such as water with these materials. Taking inspiration from advances in hybridising graphene and h-BN, we explore using density functional theory, the dissociation of water, hydrogen, methane, and methanol on graphene, h-BN, and their isoelectronic doped counterparts: BN doped graphene and C doped h-BN. We find that doped surfaces are considerably more reactive than their pristine counterparts and by comparing the reactivity of several small molecules, we develop a general framework for dissociative adsorption. From this a particularly attractive consequence of isoelectronic doping emerges: substrates can be doped to enhance their reactivity specifically towards either polar or non-polar adsorbates. As such, these substrates are potentially viable candidates for selective catalysts and membranes, with the implication that a range of tuneable materials can be designed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Hexagonal boron nitride nanoparticles decorated halloysite clay nanotubes as a potential hydrogen storage medium

The light weight and compact hydrogen storage materials is still prerequisite for the carbon free hydrogen fuel cell technology. In this work, the hydrogen storage performance of acid treated halloysite clay nanotubes (A-HNTs) and hexagonal boron nitride (h-BN) nanoparticles decorated acid treated halloysite nanoclay composite (A-HNT-h-BN) are demonstrated, where facile ultrasonic technique is adopted for the synthesis of A-HNT-h-BN nanoclay composite. Hydrogen storage studies were carried out using Sieverts-like hydrogenation setup. The A-HNTs and A-HNT-h-BN nanoclay composite were analyzed by XRD, FTIR, HRTEM, EDX, CHNS-elemental analysis and TGA. The A-HNT-h-BN nanoclay composite shows superior storage capacity of 2.19 wt% at 50 °C compared to the A-HNTs (0.58 wt%). A 100% desorption of stored hydrogen is noted in the temperature range of 138–175 °C. The average binding energy of hydrogen was found to be 0.34 eV for the prepared A-HNT-h-BN nanoclay composite. The excellent storage capability of A-HNT-h-BN nanoclay composite towards hydrogen at ambient temperature may find bright perspective in hydrogen fuel cell technology in near future.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Piezoelectric domains in the AlGaN hexagonal microrods: Effect of crystal orientations

Presently, the piezoelectric materials are finding tremendous applications in the micro-mechanical actuators, sensors, and self-powered devices. In this context, the studies pertaining to piezoelectric properties of materials in the different size ranges are very important for the scientific community. The III-nitrides are exceptionally important, not only for optoelectronic but also for their piezoelectric applications. In the present study, we synthesized AlGaN via self-catalytic vapor-solid mechanism by atmospheric pressure chemical vapor deposition technique on AlN base layer over intrinsic Si(100) substrate. The growth process is substantiated using X-ray diffraction and X-ray photoelectron spectroscopy. The Raman and photoluminescence studies reveal the formation of AlGaN microrods in the wurtzite phase and ensure the high optical quality of the crystalline material. The single crystalline, direct wide band gap and hexagonally shaped AlGaN microrods are studied for understanding the behavior of the crystallites under the application of constant external electric field using the piezoresponse force microscopy. The present study is mainly focused on understanding the behavior of induced polarization for the determination of piezoelectric coefficient of AlGaN microrod along the c-axis and imaging of piezoelectric domains in the sample originating because of the angular inclination of AlGaN microrods with respect to its AlN base layers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Critical coupling using the hexagonal boron nitride crystals in the mid-infrared range

We theoretically demonstrate the perfect absorption phenomena in the hexagonal boron nitride (hBN) crystals in the mid-infrared wavelength ranges by means of critical coupling with a one-dimensional photonic crystal spaced by the air. Different from the polymer absorbing layer composed by a metal-dielectric composite film, the hyperbolic dispersion characteristics of hBN can meet the condition of critical coupling and achieve the total absorption in the mid-infrared wavelength ranges. However, the critical coupling phenomenon can only appear in the hBN crystals with the type II dispersion. Moreover, we discuss the influence of the thickness of hBN, the incident angle, and the thickness and permittivity of the space dielectric on the total absorption. Ultimately, the conditions for absorption enhancement and the optimization methods of perfect absorption are proposed, and the design rules for a totally absorbing system under the different conditions are achieved.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Molecular dynamics investigation of hexagonal boron nitride sputtering and sputtered particle characteristics

The sputtering of hexagonal boron nitride (h-BN) by impacts of energetic xenon ions is investigated using a molecular dynamics (MD) model. The model is implemented within an open-source MD framework that utilizes graphics processing units to accelerate its calculations, allowing the sputtering process to be studied in much greater detail than has been feasible in the past. Integrated sputter yields are computed over a range of ion energies from 20 eV to 300 eV, and incidence angles from 0° to 75°. Sputtering of boron is shown to occur at energies as low as 40 eV at normal incidence, and sputtering of nitrogen at as low as 30 eV at normal incidence, suggesting a threshold energy between 20 eV and 40 eV. The sputter yields at 0° incidence are compared to existing experimental data and are shown to agree well over the range of ion energies investigated. The semi-empirical Bohdansky curve and an empirical exponential function are fit to the data at normal incidence, and the threshold energy for sputtering is calculated from the Bohdansky curve fit as 35 ± 2 eV. These results are shown to compare well with experimental observations that the threshold energy lies between 20 eV and 40 eV. It is demonstrated that h-BN sputters predominantly as atomic boron and diatomic nitrogen, and the velocity distribution function (VDF) of sputtered boron atoms is investigated. The calculated VDFs are found to reproduce the Sigmund-Thompson distribution predicted by Sigmund's linear cascade theory of sputtering. The average surface binding energy computed from Sigmund-Thompson curve fits is found to be 4.5 eV for ion energies of 100 eV and greater. This compares well to the value of 4.8 eV determined from independent experiments.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Growth and device processing of hexagonal boron nitride epilayers for thermal neutron and deep ultraviolet detectors

Solid-state neutron detectors with high performance are highly sought after for the detection of fissile materials. However, direct-conversion neutron detectors based on semiconductors with a measureable efficiency have not been realized. We report here the first successful demonstration of a direct-conversion semiconductor neutron detector with an overall detection efficiency for thermal neutrons of 4% and a charge collection efficiency as high as 83%. The detector is based on a 2.7 μm thick {sup 10}B-enriched hexagonal boron nitride (h-BN) epitaxial layer. The results represent a significant step towards the realization of practical neutron detectors based on h-BN epilayers. Neutron detectors based on h-BN are expected to possess all the advantages of semiconductor devices including wafer-scale processing, compact size, light weight, and ability to integrate with other functional devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Patterning monolayer graphene with zigzag edges on hexagonal boron nitride by anisotropic etching

Graphene nanostructures are potential building blocks for nanoelectronic and spintronic devices. However, the production of monolayer graphene nanostructures with well-defined zigzag edges remains a challenge. In this paper, we report the patterning of monolayer graphene nanostructures with zigzag edges on hexagonal boron nitride (h-BN) substrates by an anisotropic etching technique. We found that hydrogen plasma etching of monolayer graphene on h-BN is highly anisotropic due to the inert and ultra-flat nature of the h-BN surface, resulting in zigzag edge formation. The as-fabricated zigzag-edged monolayer graphene nanoribbons (Z-GNRs) with widths below 30 nm show high carrier mobility and width-dependent energy gaps at liquid helium temperature. These high quality Z-GNRs are thus ideal structures for exploring their valleytronic or spintronic properties.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Realization of highly efficient hexagonal boron nitride neutron detectors

Here, we report the achievement of highly efficient 10 B enriched hexagonal boron nitride (h- 10 BN) direct conversion neutron detectors. These detectors were realized from freestanding 4-in. diameter h- 10 BN wafers 43 μm in thickness obtained from epitaxy growth and subsequent mechanical separation from sapphire substrates. Both sides of the film were subjected to ohmic contact deposition to form a simple vertical “photoconductor-type” detector. Transport measurements revealed excellent vertical transport properties including high electrical resistivity (>10 13 Ω cm) and mobility-lifetime (μτ) products. A much larger μτ product for holes compared to that of electrons along the c-axis of h- BN was observed, implying that holes (electrons) behave like majority (minority) carriers in undoped h- BN. Exposure to thermal neutrons from a californium-252 ( 252 Cf) source moderated by a high density polyethylene moderator reveals that 43 μm h- 10 BN detectors possess 51.4% detection efficiency at a bias voltage of 400 V, which is the highest reported efficiency for any semiconductor-based neutron detector. The results point to the possibility of obtaining highly efficient, compact solid-state neutron detectors with high gamma rejection and low manufacturing and maintenance costs.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Theoretical prediction of low-density hexagonal ZnO hollow structures

Along with wurtzite and zinc blende, zinc oxide (ZnO) has been found in a large number of polymorphs with substantially different properties and, hence, applications. Therefore, predicting and synthesizing new classes of ZnO polymorphs are of great significance and have been gaining considerable interest. Herein, we perform a density functional theory based tight-binding study, predicting several new series of ZnO hollow structures using the bottom-up approach. The geometry of the building blocks allows for obtaining a variety of hexagonal, low-density nanoporous, and flexible ZnO hollow structures. Their stability is discussed by means of the free energy computed within the lattice-dynamics approach. Our calculations also indicate that all the reported hollow structures are wide band gap semiconductors in the same fashion with bulk ZnO. The electronic band structures of the ZnO hollow structures are finally examined in detail.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Grain size constraints on twin expansion in hexagonal close packed crystals

Deformation twins are stress-induced transformed domains of lamellar shape that form when polycrystalline hexagonal close packed metals, like Mg, are strained. Several studies have reported that the propensity of deformation twinning reduces as grain size decreases. Here, we use a 3D crystal plasticity based micromechanics model to calculate the effect of grain size on the driving forces responsible for expanding twin lamellae. The calculations reveal that constraints from the neighboring grain where the grain boundary and twin lamella meet induce a stress reversal in the twin lamella. A pronounced grain size effect arises as reductions in grain size cause these stress-reversal fields from twin/grain boundary junctions to affect twin growth. We further show that the severity of this neighboring grain constraint depends on the crystallographic orientation and plastic response of the neighboring grain. We show that these stress-reversal fields from twin/grain boundary junctions will affect twin growth, below a critical parent grain size. Finally, these results reveal an unconventional yet influential role that grain size and grain neighbors can play on deformation twinning.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Response of alpha particles in hexagonal boron nitride neutron detectors

Here, thermal neutron detectors were fabricated from 10 B enriched h-BN epilayers of different thicknesses. The charge carrier generation and energy loss mechanisms as well as the range of alpha daughter particles generated by the nuclear reaction between thermal neutrons and 10 B atoms in hexagonal boron nitride (h-BN) thermal neutron detectors have been investigated via their responses to alpha particles from a 210 Po source. The ranges of alpha particles in h-BN were found to be anisotropic, which increase with the angle (θ) between the trajectory of the alpha particles and c-axis of the h-BN epilayer following (cos θ) -1 and are 4.6 and 5.6 μm, respectively, for the alpha particles with energies of 1.47 MeV and 1.78 MeV at θ = 0. However, the energy loss of an alpha particle inside h-BN is determined by the number of layers it passes through with a constant energy loss rate of 107 eV per layer due to the layered structure of h-BN. Roughly 5 electron-hole pairs are generated when an alpha particle passes through each layer. It was also shown that the durability of h-BN thermal neutron detectors is excellent based on the calculation of boron vacancies generated (or 10 B atoms consumed) by neutron absorption. Finally, the results obtained here provide useful insights into the mechanisms of energy loss and charge carrier generation inside h-BN detectors and possible approaches to further improve the overall performance of h-BN thermal neutron detectors, as well as the ultimate spatial resolution of future neutron imaging devices or cameras based on h-BN epilayers.

47 OTHER INSTRUMENTATION↗
DOE OSTI2017

Temperature dependence of the energy bandgap of multi-layer hexagonal boron nitride

The temperature dependence of the energy bandgap of hexagonal boron nitride (h-BN) has been probed via photoluminescence emission characteristics of a donor-to-acceptor pair transition in a 20-layer h-BN epilayer. The results indicate that the universal behavior of bandgap decreasing with temperature is absent in multi-layer h-BN. Below 100 K, the bandgap energy variation with temperature, E g vs. T, is dominated by the electron-phonon coupling and conforms to the common behavior of redshift with an increase in temperature. At T > 100 K, the bandgap shows an unusual blueshift with temperature, which can be attributed to the unique behavior of the in-plane thermal expansion coefficient of h-BN that becomes negative above around 60 K. Although both graphite and h-BN have negative thermal expansion coefficients in a broad temperature range, graphite has a zero energy bandgap, which makes h-BN a unique semiconductor to exhibit this unusual temperature dependence of the energy bandgap.

42 ENGINEERING↗
DOE OSTI2017

Thermal stability of simple tetragonal and hexagonal diamond germanium

Here, exotic phases of germanium, that form under high pressure but persist under ambient conditions, are of technological interest due to their unique optical and electrical properties. The thermal evolution and stability of two of these exotic Ge phases, the simple tetragonal (st12) and hexagonal diamond (hd) phases, are investigated in detail. These metastable phases, formed by high pressure decompression in either a diamond anvil cell or by nanoindentation, are annealed at temperatures ranging from 280 to 320 °C for st12-Ge and 200 to 550 °C for hd-Ge. In both cases, the exotic phases originated from entirely pure Ge precursor materials. Raman microspectroscopy is used to monitor the phase changes ex situ following annealing. Our results show that hd-Ge synthesized via a pure form of a-Ge first undergoes a subtle change in structure and then an irreversible phase transformation to dc-Ge with an activation energy of (4.3 ± 0.2) eV at higher temperatures. St12-Ge was found to transform to dc-Ge with an activation energy of (1.44 ± 0.08) eV. Taken together with results from previous studies, this study allows for intriguing comparisons with silicon and suggests promising technological applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗