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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,117 records · Page 62
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Spectroscopic and electrical calculation of band alignment between atomic layer deposited SiO{sub 2} and β-Ga{sub 2}O{sub 3} (2{sup ¯}01)

The energy band alignment between atomic layer deposited (ALD) SiO{sub 2} and β-Ga{sub 2}O{sub 3} (2{sup ¯}01) is calculated using x-ray photoelectron spectroscopy and electrical measurement of metal-oxide semiconductor capacitor structures. The valence band offset between SiO{sub 2} and Ga{sub 2}O{sub 3} is found to be 0.43 eV. The bandgap of ALD SiO{sub 2} was determined to be 8.6 eV, which gives a large conduction band offset of 3.63 eV between SiO{sub 2} and Ga{sub 2}O{sub 3}. The large conduction band offset makes SiO{sub 2} an attractive gate dielectric for power devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Facile construction of vertically aligned EuS-ZnO hybrid core shell nanorod arrays for visible light driven photocatalytic properties

We demonstrated the development of coupled semiconductor in the form of hybrid heterostructures for significant advancement in catalytic functional materials. In this article, we report the preparation of vertically aligned core shell ZnO-EuS nanorod photocatalyst arrays by a simple chemical solution process followed by sulfudation process. The XRD pattern confirmed formation of the hexagonal wurtzite structure of ZnO and cubic nature of the EuS. Cross sectional FESEM images show vertical rod array structure, and the size of the nanorods ranges from 80 to 120 nm. UV-Vis DRS spectra showed that the optical absorption of ZnO was significantly enhanced to the visible region by modification with EuS surfaces. TEM study confirmed that the surface of ZnO was drastically improved by the modification with EuS nanoparticle. The catalytic activity of EuS−ZnO core shell nanorod arrays were evaluated by the photodegradation of Methylene Blue (MB) dye under visible irradiation. The results revealed that the photocatalytic activity of EuS−ZnO was much higher than that of ZnO under natural sunlight. EuS−ZnO was found to be stable and reusable without appreciable loss of catalytic activity up to four consecutive cycles.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Observing the semiconducting band-gap alignment of MoS{sub 2} layers of different atomic thicknesses using a MoS{sub 2}/SiO{sub 2}/Si heterojunction tunnel diode

We demonstrate a tunnel diode composed of a vertical MoS{sub 2}/SiO{sub 2}/Si heterostructure. A MoS{sub 2} flake consisting four areas of different thicknesses functions as a gate terminal of a silicon field-effect transistor. A thin gate oxide allows tunneling current to flow between the n-type MoS{sub 2} layers and p-type Si channel. The tunneling-current characteristics show multiple negative differential resistance features, which we interpret as an indication of different conduction-band alignments of the MoS{sub 2} layers of different thicknesses. The presented tunnel device can be also used as a hybrid-heterostructure device combining the advantages of two-dimensional materials with those of silicon transistors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Solution-grown small-molecule organic semiconductor with enhanced crystal alignment and areal coverage for organic thin film transistors

Drop casting of small-molecule organic semiconductors typically forms crystals with random orientation and poor areal coverage, which leads to significant performance variations of organic thin-film transistors (OTFTs). In this study, we utilize the controlled evaporative self-assembly (CESA) method combined with binary solvent system to control the crystal growth. A small-molecule organic semiconductor,2,5-Di-(2-ethylhexyl)-3,6-bis(5"-n-hexyl-2,2',5',2"]terthiophen-5-yl)-pyrrolo[3,4-c]pyrrole-1,4-dione (SMDPPEH), is used as an example to demonstrate the effectiveness of our approach. By optimizing the double solvent ratios, well-aligned SMDPPEH crystals with significantly improved areal coverage were achieved. As a result, the SMDPPEH based OTFTs exhibit a mobility of 1.6 × 10 -2 cm 2 /V s, which is the highest mobility from SMDPPEH ever reported.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

Modified ion-acoustic solitary waves in plasmas with field-aligned shear flows

The nonlinear dynamics of ion-acoustic waves is investigated in a plasma having field-aligned shear flow. A Korteweg-deVries-type nonlinear equation for a modified ion-acoustic wave is obtained which admits a single pulse soliton solution. The theoretical result has been applied to solar wind plasma at 1 AU for illustration.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Type I band alignment in GaAs{sub 81}Sb{sub 19}/GaAs core-shell nanowires

The composition and band gap of the shell that formed during the growth of axial GaAs/GaAs{sub 81}Sb{sub 19}/ GaAs heterostructure nanowires have been investigated by transmission electron microscopy combined with energy dispersion spectroscopy, scanning tunneling spectroscopy, and density functional theory calculations. On the GaAs{sub 81}Sb{sub 19} intermediate segment, the shell is found to be free of Sb (pure GaAs shell) and transparent to the tunneling electrons, despite the (110) biaxial strain that affects its band gap. As a result, a direct measurement of the core band gap allows the quantitative determination of the band offset between the GaAs{sub 81}Sb{sub 19} core and the GaAs shell and identifies it as a type I band alignment.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Thermal property tuning in aligned carbon nanotube films and random entangled carbon nanotube films by ion irradiation

Ion irradiation effects on thermal property changes are compared between aligned carbon nanotube (A-CNT) films and randomly entangled carbon nanotube (R-CNT) films. After H, C, and Fe ion irradiation, a focusing ion beam with sub-mm diameter is used as a heating source, and an infrared signal is recorded to extract thermal conductivity. Ion irradiation decreases thermal conductivity of A-CNT films, but increases that of R-CNT films. We explain the opposite trends by the fact that neighboring CNT bundles are loosely bonded in A-CNT films, which makes it difficult to create inter-tube linkage/bonding upon ion irradiation. In a comparison, in R-CNT films, which have dense tube networking, carbon displacements are easily trapped between touching tubes and act as inter-tube linkage to promote off-axial phonon transport. The enhancement overcomes the phonon transport loss due to phonon-defect scattering along the axial direction. A model is established to explain the dependence of thermal conductivity changes on ion irradiation parameters including ion species, energies, and current.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Effect of dielectric stoichiometry and interface chemical state on band alignment between tantalum oxide and platinum

The tantalum oxide–platinum interface electronic properties determined by X-ray photoelectron spectroscopy are found to depend on the dielectric stoichiometry and platinum chemical state. We demonstrate the slow charging of the tantalum oxide in cases of Ta{sub 2}O{sub 5}/Pt and Ta{sub 2}O{sub 5−y}/Pt interfaces under the X-ray irradiation. This behavior is proposed to be related to the charge accumulation at oxygen vacancies induced traps. Based on the proposed methodology, we define the intrinsic conductive band offset (CBO) ∼1.3 eV (both for Ta{sub 2}O{sub 5}/Pt and Ta{sub 2}O{sub 5−y}/Pt) and CBO after the full saturation of the traps charging ∼0.5 eV, while the last one defines the energy position of charged traps below the bottom of conduction band. We demonstrate also the pining at the both Ta{sub 2}O{sub 5}/Pt and Ta{sub 2}O{sub 5−y}/Pt interfaces even in the “intrinsic” state, apparently induced by the presence of additional interfacial states. No shifts of Ta4f line and band alignment in over stoichiometric Ta{sub 2}O{sub 5+x}/Pt structure during X-ray irradiation, as well as the absence of pinning, resulting in increase of CBO up to 2.3 eV are found. This behavior is related to the PtO{sub 2} interfacing layer formation at Ta{sub 2}O{sub 5+x}/Pt, blocking the charging of the surface states and associated dipole formation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Renormalized theory of ion temperature gradient instability of the magnetic-field-aligned plasma shear flow with hot ions

The developed kinetic theory for the stability of a magnetic-field-aligned (parallel) shear flow with inhomogeneous ion temperature [Mikhailenko et al., Phys. Plasmas 21, 072117 (2014)] predicted that a kinetic instability arises from the coupled reinforcing action of the flow velocity shear and ion temperature gradient in the cases where comparable ion and electron temperatures exist. In the present paper, the nonlinear theory was developed for the instability caused by the combined effects of ion-temperature-gradient and shear-flow (ITG–SF). The level of the electrostatic turbulence is determined for the saturation state of the instability on the basis of the nonlinear dispersion equation, which accounts for a nonlinear scattering of ions by the developed turbulence in a sheared flow. The renormalized quasilinear equation for the ion distribution function, which accounts for the turbulent scattering of ions by ITG–SF driven turbulence, was derived and employed for the estimation of the turbulent ion viscosity, the anomalous ion thermal conductivity, and anomalous ion heating rate at the saturation state of the instability.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Direct measurements of classical and enhanced gradient-aligned cross-field ion flows in a helicon plasma source using laser-induced fluorescence

Direct laser induced fluorescence measurements are shown of cross-field ion flows normal to an absorbing boundary that is aligned parallel to the axial magnetic field in a helicon plasma. We show Langmuir and emissive probe measurements of local density and plasma potential in the same region, as well as floating probe spectra near the boundary. With these measurements, we investigate the influence of ion-neutral collisionality on radial ion transport by varying the ratio of the ion gyro-radius, ρ{sub i}, to the ion-neutral collision length, λ, over the range 0.34 ≤ ρ{sub i}λ{sup −1} ≤ 1.60. Classical drift-diffusion transport along density and potential gradients is sufficient to describe flow profiles for most cases. For two parameter regimes (ρ{sub i}λ{sup −1} = 0.65 and 0.44), low-frequency electrostatic fluctuations (f < 10 kHz) and enhanced cross-field bulk ion flow to the boundary are observed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Orientation-dependent energy level alignment and film growth of 2,7-diocty[1]benzothieno[3,2-b]benzothiophene (C8-BTBT) on HOPG

Combining ultraviolet photoemission spectroscopy, X-ray photoemission spectroscopy, atomic force microscopy, and X-ray diffraction measurements, we performed a systematic investigation on the correlation of energy level alignment, film growth, and molecular orientation of 2,7-diocty[1]benzothieno[3,2-b]benzothiophene (C8-BTBT) on highly oriented pyrolytic graphite. The molecules lie down in the first layer and then stand up from the second layer. The ionization potential shows a sharp decrease from the lying down region to the standing up region. When C8-BTBT molecules start standing up, unconventional energy level band-bending-like shifts are observed as the film thickness increases. These shifts are ascribed to gradual decreasing of the molecular tilt angle about the substrate normal with the increasing film thickness.

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

Magnetic and optical properties of Mn-doped ZnO vertically aligned nanorods synthesized by hydrothermal technique

In this paper we have reported the synthesis of high quality vertically aligned undoped and Mn-doped ZnO single crystalline nanorods arrays on Si (100) substrates using two steps process, namely, initial slow seed layer formation followed by solution growth employing wet chemical hydrothermal method. The shapes of the as grown single crystalline nanorods are hexagonal. The diameter and length of the as grown undoped ZnO nanorods varies in the range of 80-150 nm and 1.0 - 1.4 μm, respectively. Along with the lattice parameters of the hexagonal crystal structure, the diameter and length of Mn doped ZnO nanorods are found to increase slightly as compared to the undoped ZnO nanorods. The X-ray photoelectron spectroscopy confirms the presence of Mn atoms in Mn{sup 2+} state in the single crystalline ZnO nanorods. The recorded photoluminescence spectrum contains two emissions peaks having UV exciton emissions along with a green-yellow emission. The green-yellow emissions provide the evidence of singly ionized oxygen vacancies. The magnetic field dependent magnetization measurements [M (H)] and zero field cooled (ZFC) and field cooled (FC) magnetization [M(T)] measurements have been carried out at different isothermal conditions in the temperature range of 5-300 K. The Mn doped ZnO nanorods clearly show room temperature ferromagnetic ordering near room temperature down to 5 K. The observed magnetization may be attributed to the long range ferromagnetic interaction between bound magnetic polarons led by singly charged oxygen vacancies.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

A class of monolayer metal halogenides MX{sub 2}: Electronic structures and band alignments

With systematic first principles calculations, a class of monolayer metal halogenides MX{sub 2} (M = Mg, Ca, Zn, Cd, Ge, Pb; M = Cl, Br, I) has been proposed. Our study indicates that these monolayer materials are semiconductors with the band gaps ranging from 2.03 eV of ZnI{sub 2} to 6.08 eV of MgCl{sub 2}. Overall, the band gap increases with the increase of the electronegativity of the X atom or the atomic number of the metal M. Meanwhile, the band gaps of monolayer MgX{sub 2} (X = Cl, Br) are direct while those of other monolayers are indirect. Based on the band edge curvatures, the derived electron (m{sub e}) and hole (m{sub h}) effective masses of MX{sub 2} monolayers are close to their corresponding bulk values except that the m{sub e} of CdI{sub 2} is three times larger and the m{sub h} for PbI{sub 2} is twice larger. Finally, the band alignments of all the studied MX{sub 2} monolayers are provided using the vacuum level as energy reference. These theoretical results may not only introduce the monolayer metal halogenides family MX{sub 2} into the emerging two-dimensional materials, but also provide insights into the applications of MX{sub 2} in future electronic, visible and ultraviolet optoelectronic devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Effect of interfacial excess oxygen on positive-bias temperature stress instability of self-aligned coplanar InGaZnO thin-film transistors

We investigated the impact of excess oxygen on positive bias temperature stress (PBTS) instability of self-aligned coplanar amorphous InGaZnO thin-film transistors. We focus on the interface region which is compositionally differentiated from the bulk material on each side. The threshold voltage shift under PBTS is proportional to the extracted density of interface trap states that act as electron traps. The density of interface trap states is extracted from capacitance-voltage measurements with monochromatic light of varying wavelengths. We introduce a figure-of-merit that quantifies the amount of excess oxygen relative to the metal cation composition in the interface region. Minimization of interfacial excess oxygen from 112.4% to 101.2% reduces the density of interface trap states by a factor of 2.77, resulting in improvement of PBTS instability from a threshold voltage shift value of 4.42 V to 0.35 V.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Structural, electronic structure, and band alignment properties at epitaxial NiO/Al{sub 2}O{sub 3} heterojunction evaluated from synchrotron based X-ray techniques

The valence band offset value of 2.3 ± 0.2 eV at epitaxial NiO/Al{sub 2}O{sub 3} heterojunction is determined from photoelectron spectroscopy experiments. Pulsed laser deposited thin film of NiO on Al{sub 2}O{sub 3} substrate is epitaxially grown along [111] direction with two domain structures, which are in-plane rotated by 60° with respect to each other. Observation of Pendellosung oscillations around Bragg peak confirms high interfacial and crystalline quality of NiO layer deposited on Al{sub 2}O{sub 3} substrate. Surface related feature in Ni 2p{sub 3/2} core level spectra along with oxygen K-edge soft X-ray absorption spectroscopy results indicates that the initial growth of NiO on Al{sub 2}O{sub 3} substrate is in the form of islands, which merge to form NiO layer for the larger coverage. The value of conduction band offset is also evaluated from the measured values of band gaps of NiO and Al{sub 2}O{sub 3} layers. A type-I band alignment at NiO and Al{sub 2}O{sub 3} heterojunction is also obtained. The determined values of band offsets can be useful in heterojunction based light emitting devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Hydrothermal growth and characterization of vertically well-aligned and dense ZnO nanorods on glass and silicon using a simple optimizer system

Vertically, well-aligned and high density ZnO nanorods were successfully hydrothermally grown on glass and silicon substrates using a simple and low cost system. The mechanism of synthesis of ZnO nanorods, generated with our system under hydrothermal conditions, is investigated in this report. Field-emission scanning electron microscopy indicated that the fabricated ZnO nanorods on both substrates have hexagonal shape with diameters ranging from 20 nm to 70 nm which grew vertically from the substrate. XRD analysis confirms the formation of wurtzite ZnO phase with a preferred orientation along (002) direction perpendicular on the substrate and enhanced crystallinity. The low value of the tensile strain (0.126 %) revealed that ZnO nanorods preferred to grow along the c-axis for both substrates. Photoluminescence spectra exhibited a strong, sharp UV near band edge emission peak with narrow FWHM values for both samples.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Development and commissioning of an x-ray beam alignment flag for NSLS-II

The NSLS-II Synchrotron Light Source is a 3 GeV electron storage ring recently commissioned and is now entering operations at Brookhaven National Laboratory. One of the major tasks was to commission the six project beamline front ends which required a diagnostic to resolve x-ray beam position for the purpose of beam alignment at low current. Since none of the front ends were outfitted with any x-ray diagnostics in the baseline design, an x-ray beam profile monitor or “flag” that could be easily installed into existing front end vacuum chambers was proposed to satisfy this requirement. Here we present the development of this novel device which utilizes a polycrystalline CVD diamond luminescent screen to produce a visible image of the x-ray beam cross-section and is then captured with a CCD camera.

43 PARTICLE ACCELERATORS↗
DOE OSTI2016

Stability estimate for the aligned magnetic field in a periodic quantum waveguide from Dirichlet-to-Neumann map

In this article, we study the boundary inverse problem of determining the aligned magnetic field appearing in the magnetic Schrödinger equation in a periodic quantum cylindrical waveguide, by knowledge of the Dirichlet-to-Neumann map. We prove a Hölder stability estimate with respect to the Dirichlet-to-Neumann map, by means of the geometrical optics solutions of the magnetic Schrödinger equation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗