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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Air-stable solution-processed n-channel organic thin film transistors with polymer-enhanced morphology

N,N′-1H,1H-perfluorobutyl dicyanoperylenecarboxydiimide (PDIF-CN{sub 2}) is an n-type semiconductor exhibiting high electron mobility and excellent air stability. However, the reported electron mobility based on spin-coated PDIF-CN{sub 2} film is much lower than the value of PDIF-CN{sub 2} single crystals made from vapor phase deposition, indicating significant room for mobility enhancement. In this study, various insulating polymers, including poly(vinyl alcohol), poly(methyl methacrylate) (PMMA), and poly(alpha-methylstyrene) (PαMS), are pre-coated on silicon substrate aiming to enhance the morphology of the PDIF-CN{sub 2} thin film, thereby improving the charge transport and air stability. Atomic force microscopy images reveal that with the pre-deposition of PαMS or PMMA polymers, the morphology of the PDIF-CN{sub 2} polycrystalline films is optimized in semiconducting crystal connectivity, domain size, and surface roughness, which leads to significant improvement of organic thin-film transistor (OTFT) performance. Particularly, an electron mobility of up to 0.55 cm{sup 2}/V s has been achieved from OTFTs based on the PDIF-CN{sub 2} film with the pre-deposition of PαMS polymer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Experimental investigation of defect-assisted and intrinsic water vapor permeation through ultrabarrier films

In the development of ultrabarrier films for packaging electronics, the effective water vapor transmission rate is a combination of permeation through pinhole defects and the intrinsic permeation through the actual barrier film. While it is possible to measure the effective permeation rate through barriers, it is important to develop a better understanding of the contribution from defects to the overall effective barrier performance. Here, we demonstrate a method to investigate independently defect-assisted permeation and intrinsic permeation rates by observing the degradation of a calcium layer encapsulated with a hybrid barrier film, that is, prepared using atomic layer deposition (ALD) and plasma enhanced deposition (PECVD). The results are rationalized using an analytical diffusion model to calculate the permeation rate as a function of spatial position within the barrier. It was observed that a barrier film consisting of a PECVD SiN{sub x} layer combined with an ALD Al{sub 2}O{sub 3}/HfO{sub x} nanolaminate resulted in a defect-assisted water vapor transmission rate (WVTR) of 4.84 × 10{sup −5} g/m{sup 2} day and intrinsic WVTR of 1.41 × 10{sup −4} g/m{sup 2} day at 50 °C/85% RH. Due to the low defect density of the tested barrier film, the defect-assisted WVTR was found to be three times lower than the intrinsic WVTR, and an effective (or total) WVTR value was 1.89 × 10{sup −4} g/m{sup 2} day. Thus, improvements of the barrier performance should focus on reducing the number of defects while also improving the intrinsic barrier performance of the hybrid layer.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Exquisite growth control and magnetic properties of yttrium iron garnet thin films

A layer-by-layer epitaxial growth up to 227 atomic layers of ferrimagnetic insulator yttrium iron garnet (YIG) thin films is achieved on (110)-oriented gadolinium gallium garnet substrates using pulsed laser deposition. Atomically smooth terraces are observed on YIG films up to 100 nm in thickness. The root-mean-square roughness is as low as 0.067 nm. The easy-axis lies in the film plane, indicating the dominance of shape anisotropy. For (110)-YIG films, there is well-defined two-fold in-plane anisotropy, with the easiest axis directed along [001]. The Gilbert damping constant is determined to be 1.0 × 10{sup −4} for 100 nm thick films.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Sub-Micrometer Zeolite Films on Gold-Coated Silicon Wafers with Single-Crystal-Like Dielectric Constant and Elastic Modulus

A low-temperature synthesis coupled with mild activation produces zeolite films exhibiting low dielectric constant (low-k) matching the theoretically predicted and experimentally measured values for single crystals. This synthesis and activation method allows for the fabrication of a device consisting of a b-oriented film of the pure-silica zeolite MFI (silicalite-1) supported on a gold-coated silicon wafer. The zeolite seeds are assembled by a manual assembly process and subjected to optimized secondary growth conditions that do not cause corrosion of the gold underlayer, while strongly promoting in-plane growth. The traditional calcination process is replaced with a non-thermal photochemical activation to ensure preservation of an intact gold layer. The dielectric constant (k), obtained through measurement of electrical capacitance in a metal-insulator-metal configuration, highlights the ultralow k approximate to 1.7 of the synthetized films, which is among the lowest values reported for an MFI film. There is large improvement in elastic modulus of the film (E approximate to 54 GPa) over previous reports, potentially allowing for integration into silicon wafer processing technology.

Tiriolo, Raffaele↗
DOE OSTI2017

Damage evolution of ion irradiated defected-fluorite La 2 Zr 2 O 7 epitaxial thin films

Pyrochlore-structure oxides, A2B2O7, may exhibit remarkable radiation tolerance due to the ease with which they can accommodate disorder by transitioning to a defected fluorite structure. The mechanism of defect formation was explored by evaluating the radiation damage behavior of high quality epitaxial La2Zr2O7 thin films with the defected fluorite structure, irradiated with 1 MeV Zr+ at doses up to 10 displacements per atom (dpa). The level of film damage was evaluated as a function of dose by Rutherford backscattering spectrometry in the channeling geometry (RBS/c) and scanning transmission electron microscopy (STEM). At lower doses, the surface of the La2Zr2O7 film amorphized, and the amorphous fraction as a function of dose fit well to a stimulated amorphization model. As the dose increased, the surface amorphization slowed, and amorphization appeared at the interface. Even at a dose of 10 dpa, the core of the film remained crystalline, despite the prediction of amorphization from the model. To inform future ab initio simulations of La2Zr2O7, the bandgap of a thick La2Zr2O7 film was measured to be indirect at 4.96 eV, with a direct transition at 5.60 eV.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2018

Controlling the structure and ferroic properties of strained epitaxial NiTiO3 thin films on sapphire by post-deposition annealing

Ferroelectrically induced weak ferromagnetism had been predicted earlier in compounds MTiO3 (M = Fe, Mn, Ni) with the LiNbO3-type structure. In order to stabilize this metastable structure by oxide heteroepitaxy, we attempted to grow epitaxial NiTiO3 films on the nonpolar, non-magnetic substrate Al2O3 by pulsed laser deposition. Given the structural imperfections of the as-deposited films arising from the large lattice mismatch, which resulted in weak ferroic ordering, we investigated the effect of post-synthesis annealing on the films’ properties. Our structural data from x-ray diffraction and electron microscopy suggest that the crystalline quality of the NiTiO3 films was greatly improved by annealing the films at 600-1000 oC for 8 hours, with new phase formation along the interface at 1000 oC. Our physical property characterization indicates increased ferromagnetism and polarization after 600 oC, but a change in the magnetic state to likely ferrimagnetism, and a loss of polarization after the 1000 oC treatment. Our results suggest that the ferroic domain properties of the NiTiO3 films can be favorably altered by post-synthesis heat treatment at the proper temperature to manipulate interfacial strain and enhance the multiferroic properties. Improvement in the ferroic properties can be explained by a combination of crystallite growth, interfacial strain relief, and thermodynamic phase stability arguments. At the same time, exceeding temperatures may drive the system to a thermodynamically more favored crystalline order, and eventually to phase segregation and decomposition.

Varga, Tamas↗
DOE OSTI2017

Confinement Effects on Host Chain Dynamics in Polymer Nanocomposite Thin Films

Incorporating nanoparticles (NPs) within a polymer host to create polymer nanocomposites (PNCs) while having the effect of increasing the functionality (e.g., sensing, energy conversion) of these materials influences other properties. One challenge is to understand the effects of nanoparticles on the viscosity of nanoscale thick polymer films. A new mechanism that contributes to an enhancement of the viscosity of nanoscale thick polymer/nanoparticle films is identified. We show that while the viscosities of neat homopolymer poly(2-vinylpyridine) (P2VP) films as thin as 50 nm remained the same as the bulk, polymer/nanoparticle films containing P2VP brush-coated gold NPs, spaced 50 nm apart, exhibited unprecedented increases in viscosities of over an order of magnitude. For thicker films or more widely separated NPs, the chain dynamics and viscosities were comparable to the bulk values. These results - NP proximities and suppression of their dynamics - suggest a new mechanism by which the viscosities of polymeric liquids could be controlled for nanoscale applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Interfacial Coupling-Induced Ferromagnetic Insulator Phase in Manganite Film

Interfaces with subtle differences in atomic and electronic structures in perovskite ABO 3 heterostructures often yield intriguingly different properties, yet their exact roles remain elusive. Here, we report an integrated study of unusual transport, magnetic, and structural properties of Pr 0.67 Sr 0.33 MnO 3 film on SrTiO 3 substrate. The variations in the out-of-plane lattice constant and BO 6 octahedral rotation across the Pr 0.67 Sr 0.33 MnO 3 /SrTiO 3 interface strongly depend on the thickness of the Pr 0.67 Sr 0.33 MnO 3 film. In the 12-nm film, a new interface-sensitive ferromagnetic polaronic insulator (FI') phase is formed during the cubic-to-tetragonal phase transition of SrTiO 3 , apparently due to the enhanced electron–phonon interaction and atomic disorder in the film. The transport properties of the FI' phase in the 30-nm film are masked because of the reduced interfacial coupling and smaller interface-to-volume ratio. In conclusion, this work demonstrates how thickness-dependent interfacial coupling leads to the formation of a theoretically predicted ferromagnetic–polaronic insulator, as illustrated in a new phase diagram, that is otherwise ferromagnetic metal (FM) in bulk form.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Effects of film thickness on electrochemical properties of nanoscale polyethylenedioxythiophene (PEDOT) thin films grown by oxidative molecular layer deposition (oMLD)

Poly(3,4-ethylene dioxythiophene) (PEDOT) has a high theoretical charge storage capacity, making it of interest for electrochemical applications including energy storage and water desalination. Nanoscale thin films of PEDOT are particularly attractive for these applications to enable faster charging. Recent work has demonstrated that nanoscale thin films of PEDOT can be formed using sequential gas-phase exposures via oxidative molecular layer deposition, or oMLD, which provides advantages in conformality and uniformity on high aspect ratio substrates over other deposition techniques. But to date, the electrochemical properties of these oMLD PEDOT thin films have not been well-characterized. In this work, we examine the electrochemical properties of 5–100 nm thick PEDOT films formed using 20–175 oMLD deposition cycles. We find that film thickness of oMLD PEDOT films affects the orientation of ordered domains leading to a substantial change in charge storage capacity. Interestingly, we observe a minimum in charge storage capacity for an oMLD PEDOT film thickness of ~30 nm (60 oMLD cycles at 150 °C), coinciding with the highest degree of face-on oriented PEDOT domains as measured using grazing incidence wide angle X-ray scattering (GIWAXS). Thinner and thicker oMLD PEDOT films exhibit higher fractions of oblique (off-angle) orientations and corresponding increases in charge capacity of up to 120 mA h g -1 . Electrochemical measurements suggest that higher charge capacity in films with mixed domain orientation arise from the facile transport of ions from the liquid electrolyte into the PEDOT layer. Greater exposure of the electrolyte to PEDOT domain edges is posited to facilitate faster ion transport in these mixed domain films. In conclusion, these insights will inform future design of PEDOT coated high-aspect ratio structures for electrochemical energy storage and water treatment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Incorporation of Ti in epitaxial Fe2TiO4 thin films

The titanomagnetites (Fe2-xTixO4, x = 1) are a family of reducible spinel-structure oxides of interest for their favorable magnetic, catalytic, and electrical transport properties. To understand the stability of the system during low temperature deposition, epitaxial thin films of Fe2TiO4 were deposited by molecular beam epitaxy on MgO(001) at 250 – 375°C. The homogeneous incorporation of Ti, Fe valence, and film morphology were all found to be strongly dependent on the oxidation conditions at the low substrate temperatures employed. More oxidizing conditions led to phase separation into epitaxial, faceted Fe3O4 and rutile TiO2. Less oxidizing conditions resulted in polycrystalline films that exhibited Ti segregation to the film surface, as well as mixed Fe valence (Fe3+, Fe2+, Fe0). A narrow window of intermediate oxygen partial pressure during deposition yielded nearly homogeneous Ti incorporation and a large fraction of Fe2+. However, these films were poorly crystallized, and no occupation of tetrahedral sites in the spinel lattice by Fe2+ was detected by x-ray magnetic circular dichroism at the Fe L-edge. After vacuum annealing, a small fraction of Fe2+ was found to occupy tetrahedral sites. Comparison of these results with previous work suggests that the restriction of the deposition conditions to low temperature by the MgO substrate limits the incorporation of Ti into the spinel lattice. This work suggests a path towards obtaining stoichiometric, well-crystallized Fe2TiO4 by MBE by utilizing high substrate temperature and low oxygen partial pressure during deposition on temperature-stable substrates.

Kaspar, Tiffany C.↗
DOE OSTI2016

Octahedral rotation patterns in strained EuFeO 3 and other Pbnm perovskite films: Implications for hybrid improper ferroelectricity

Here, we report the relationship between epitaxial strain and the crystallographic orientation of the in-phase rotation axis and A -site displacements in Pbnm-type perovskite films. Synchrotron diffraction measurements of EuFeO 3 films under strain states ranging from 2% compressive to 0.9% tensile on cubic or rhombohedral substrates exhibit a combination of a - a + c - and a + a - c - rotational patterns. We compare the EuFeO 3 behavior with previously reported experimental and theoretical work on strained Pbnm-type films on nonorthorhombic substrates, as well as additional measurements from LaGaO 3 , LaFeO 3 , and Eu 0.7 Sr 0.3 MnO 3 films on SrTiO 3 . Compiling the results from various material systems reveals a general strain dependence in which compressive strain strongly favors a - a + c - and a + a - c - rotation patterns and tensile strain weakly favors a - a - c + structures. In contrast, EuFeO 3 films grown on Pbnm-type GdScO 3 under 2.3% tensile strain take on a uniform a - a + c - rotation pattern imprinted from the substrate, despite strain considerations that favor the a - a - c + pattern. Our results point to the use of substrate imprinting as a more robust route than strain for tuning the crystallographic orientations of the octahedral rotations and A -site displacements needed to realize rotation-induced hybrid improper ferroelectricity in oxide heterostructures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Pair distribution functions of amorphous organic thin films from synchrotron X-ray scattering in transmission mode

Using high-brilliance high-energy synchrotron X-ray radiation, for the first time the total scattering of a thin organic glass film deposited on a strongly scattering inorganic substrate has been measured in transmission mode. The organic thin film was composed of the weakly scattering pharmaceutical substance indomethacin in the amorphous state. The film was 130 µm thick atop a borosilicate glass substrate of equal thickness. The atomic pair distribution function derived from the thin-film measurement is in excellent agreement with that from bulk measurements. This ability to measure the total scattering of amorphous organic thin films in transmission will enable accurate in situ structural studies for a wide range of materials.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Investigation of Shear-Thinning Behavior on Film Thickness and Friction Coefficient of Polyalphaolefin Base Fluids With Varying Olefin Copolymer Content

This study investigates the rheological properties, elastohydrodynamic (EHD) film-forming capability, and friction coefficients of low molecular mass poly-alpha-olefin (PAO) base stocks with varying contents of high molecular mass olefin copolymers (OCPs) to assess their shear stability and their potential for energy-efficient lubrication. Several PAO-OCP mixtures were blended in order to examine the relationship between their additive content and tribological performance. Gel permeation chromatography (GPC) and nuclear magnetic resonance (NMR) spectroscopy were used to characterize the molecular masses and structures, respectively. Density, viscosity, EHD film thickness, and friction were measured at 303 K, 348 K, and 398 K. Film thickness and friction were studied at entrainment speeds relevant to the boundary, mixed, and full-film lubrication regimes. The PAO-OCP mixtures underwent temporary shear-thinning resulting in decreases in film thickness and hydrodynamic friction. These results demonstrate that the shear characteristics of PAO-OCP mixtures can be tuned with the OCP content and provide insight into the effects of additives on EHD characteristics.

Elastohydrodynamic lubrication↗
NASA NTRS2000

Friction and Wear Properties of Selected Solid Lubricating Films: Magnetron-Sputtered and Plasma-Assisted, Chemical-Vapor-Deposited Diamondlike Carbon Films - Part 3

To evaluate commercially developed dry solid film lubricants for aerospace bearing applications, an investigation was conducted to examine the friction and wear behavior of magnetron-sputtered diamondlike carbon (MS DLC) and plasma-assisted, chemical-vapor-deposited diamondlike carbon (PACVD DLC) films in sliding contact with 6-mm-diameter American Iron and Steel Institute (AISI) 440C stainless steel balls. Unidirectional sliding friction experiments were conducted with a load of 5.9 N (600 g), a mean Hertzian contact pressure of 0.79 GPa (maximum Hertzian contact pressure of L-2 GPa), and a sliding velocity of 0.2 m/s. The experiments were conducted at room temperature in three environments: ultrahigh vacuum (vacuum pressure, 7x10(exp -7) Pa), humid air (relative humidity, approx.20 percent), and dry nitrogen (relative humidity, <1 percent). The resultant films were characterized by scanning electron microscopy, energy-dispersive x-ray spectroscopy, and surface profilometry. Marked differences in the friction and wear of the DLC films investigated herein resulted from the environmental conditions. The main criteria for judging the performance of the DLC films were coefficient of friction and wear rate, which had to be less than 0.3 and on the order of 10(exp -6) cu mm/N-m or less, respectively. MS DLC films and PACVD DLC films met the criteria in humid air and dry nitrogen but failed in ultrahigh vacuum, where the coefficients of friction were greater than the criterion, 0.3. In sliding contact with 440C stainless steel balls in all three environments the PACVD DLC films exhibited better tribological performance (i.e., lower friction and wear) than the MS DLC films. All sliding involved adhesive transfer of wear materials: transfer of DLC wear debris to the counterpart 440C stainless steel and transfer of 440C stainless steel wear debris to the counterpart DLC film.

Miyoshi, Kazuhisa↗
DOE OSTI2012

Controlling the crystallite size and influence of the film thickness on the optical and electrical characteristics of nanocrystalline Cu{sub 2}S films

Highlights: Black-Right-Pointing-Pointer Modification of the preparation technique in order to deposit nanostructure Cu{sub 2}S thin films. Black-Right-Pointing-Pointer Controlling the crystallite size of the prepared films. Black-Right-Pointing-Pointer Study the surface morphology, optical and electrical characteristics of Cu{sub 2}S films. -- Abstract: In this work, Cu{sub 2}S nanocrystalline films have been successfully prepared using dip-coating technique. The stoichiometry and the structural characteristics of the prepared films were characterized by energy dispersive X-ray spectroscopy (EDX) and X-ray diffraction (XRD), respectively. The surface morphology of the deposited Cu{sub 2}S film was studied using both the scanning electron microscopy (SEM) and the atomic force microscopy (AFM). The SEM and AFM images indicate that the prepared Cu{sub 2}S films are characterized by a well-dispersed and highly dense with spherical like-shaped aggregates of size in the nano scale. The optical absorption measurements indicate that the Cu{sub 2}S nanoparticles have a direct band gap of 2.92 eV. The dispersion and absorption parameters such as the dispersion energy, oscillating energy, real and imaginary dielectric constants and dissipation factor were calculated within a wide wavelength range of the spectrum that indicates the suitability of the deposited films as solar absorber using this technique. The dark electrical resistivity ({rho}) measurements were carried out at different temperatures in the range 312-440 K. These results confirm the semiconducting characteristic of the prepared Cu{sub 2}S films. Moreover, two activation energies were obtained that indicate the presence of two dominating conduction mechanisms in these temperature ranges. The bulk electrical resistivity ({rho}{sub B}) and the mean free path (l{sub 0}) of charge carriers were estimated from the resistivity-thickness dependence. The heterojunction device of n-ZnCdS/p-Cu{sub 2}S behaves good rectifying property. The photovoltaic characteristic of the heterojunction device using the current-voltage characteristic under illumination of 100 mW/cm{sup 2} was also observed. Discussion of the obtained results and their comparison with the previous published data were also considered.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Characteristics of ITO films with oxygen plasma treatment for thin film solar cell applications

Graphical abstract: The effect of O{sub 2} plasma treatment on the surface and the work function of ITO films. - Highlights: • ITO films were prepared on the glass substrate by RF magnetron sputtering method. • Effects of O{sub 2} plasma treatment on the properties of ITO films were investigated. • The work function of ITO film was changed from 4.67 to 5.66 eV by plasma treatment. - Abstract: The influence of oxygen plasma treatment on the electro-optical and structural properties of indium-tin-oxide films deposited by radio frequency magnetron sputtering method were investigated. The films were exposed at different O{sub 2} plasma powers and for various durations by using the plasma enhanced chemical vapor deposition (PECVD) system. The resistivity of the ITO films was almost constant, regardless of the plasma treatment conditions. Although the optical transmittance of ITO films was little changed by the plasma power, the prolonged treatment slightly increased the transmittance. The work function of ITO film was changed from 4.67 eV to 5.66 eV at the plasma treatment conditions of 300 W and 60 min.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Controlling Thin-Film Stress and Wrinkling during Perovskite Film Formation

Significant effort has focused on controlling the deposition of perovskite films to enable uniform films, enabling efficiencies to climb dramatically. However, little attention has been paid to the evolution of thin-film stresses during deposition and the consequent effect on film morphology. While a textured surface topology has potential benefits for light scattering, a smooth surface is desirable to enable the pinhole-free deposition of contact layers. In this paper, we show that the highly textured morphology made by popular antisolvent conversion methods arises because of in-plane compressive stress experienced during the intermediate phase of film formation where the substrate constrains the film from expanding—leading to energy release in the form of wrinkling, resulting in trenches that can be hundreds of nanometers deep with periods of several micrometers. Finally, we demonstrate that the extent of wrinkling is correlated with the rate of film conversion and that ultrasmooth films are obtained by slowing the rate of film formation.

36 MATERIALS SCIENCE↗