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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Perovskite-Fullerene Hybrid Materials Eliminate Hysteresis In Planar Diodes

Solution-processed planar perovskite devices are highly desirable in a wide variety of optoelectronic applications; however, they are prone to hysteresis and current instabilities. Here we report the first perovskite–PCBM hybrid solid with significantly reduced hysteresis and recombination loss achieved in a single step. This new material displays an efficient electrically coupled microstructure: PCBM is homogeneously distributed throughout the film at perovskite grain boundaries. The PCBM passivates the key PbI3 antisite defects during the perovskite self-assembly, as revealed by theory and experiment. Photoluminescence transient spectroscopy proves that the PCBM phase promotes electron extraction. We showcase this mixed material in planar solar cells that feature low hysteresis and enhanced photovoltage. Using conductive AFM studies, we reveal the memristive properties of perovskite films. We close by positing that PCBM, by tying up both halide-rich antisites and unincorporated halides, reduces electric field-induced anion migration that may give rise to hysteresis and unstable diode behaviour.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Inferring topological transitions in pattern-forming processes with self-supervised learning

Abstract The identification of transitions in pattern-forming processes are critical to understand and fabricate microstructurally precise materials in many application domains. While supervised methods can be useful to identify transition regimes, they need labels, which require prior knowledge of order parameters or relevant microstructures describing these transitions. Instead, we develop a self-supervised, neural-network-based approach that does not require predefined labels about microstructure classes to predict process parameters from observed microstructures. We show that assessing the difficulty of solving this inverse problem can be used to uncover microstructural transitions. We demonstrate our approach by automatically discovering microstructural transitions in two distinct pattern-forming processes: the spinodal decomposition of a two-phase mixture and the formation of binary-alloy microstructures during physical vapor deposition of thin films. This approach opens a path forward for discovering unseen or hard-to-discern transitions and ultimately controlling complex pattern-forming processes.

Abram, Marcin↗
DOE OSTI2014

Alkali-metal-enhanced grain growth in Cu 2 ZnSnS 4 thin films

Copper zinc tin sulfide (CZTS) is an emerging photovoltaic material comprised of earth abundant elements. Presence of very small amounts of sodium and potassium during the synthesis of thin CZTS films enhances grain growth and leads to microstructures ideally suited for solar cells.

Johnson, M.↗
DOE OSTI2017

Local terahertz field enhancement for time-resolved x-ray diffraction

We report local field strength enhancement of single-cycle terahertz (THz) pulses in an ultrafast time-resolved x-ray diffraction experiment. We show that patterning the sample with gold microstructures increases the THz field without changing the THz pulse shape or drastically affecting the quality of the x-ray diffraction pattern. Lastly, we find a five-fold increase in THz-induced x-ray diffraction intensity change in the presence of microstructures on a SrTiO 3 thin-film sample.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Creation of nanoscale magnetic fields using nano-magnet arrays

In this paper, we present the fabrication of nano-magnet arrays, comprised of two sets of interleaving SmCo 5 and Co nano-magnets, and the subsequent development and implementation of a protocol to program the array to create a one-dimensional rotating magnetic field. We designed the array based on the microstructural and magnetic properties of SmCo 5 films annealed under different conditions, also presented here. Leveraging the extremely high contrast in coercivity between SmCo 5 and Co, we applied a sequence of external magnetic fields to program the nano-magnet arrays into a configuration with alternating polarization, which based on simulations creates a rotating magnetic field in the vicinity of nano-magnets. Our proof-of-concept demonstration shows that complex, nanoscale magnetic fields can be synthesized through coercivity contrast of constituent magnetic materials and carefully designed sequences of programming magnetic fields.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2017

Surface topography and crystal and domain structures of films of ferroelectric copolymer of vinylidene difluoride and trifluoroethylene

The crystallization of a copolymer from a solution at room temperature is found to lead to the formation of a metastable structure, characterized by the coexistence of ferroelectric and paraelectric phases. The fraction of the latter decreases after annealing above the Curie point. Atomic force microscopy (AFM) has revealed a difference in the surface topographies between the films contacting with air and the films contacting with a glass substrate. The microstructure of copolymer chains has been investigated by {sup 19}F NMR spectroscopy. The chain fragments with “defect” attached monomeric units are ejected to the surface. The character of the ferroelectric domains formed during crystallization and their size distribution are analyzed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Basic Research of Intrinsic Tamper Indication Markings Defined by Pulsed Laser Irradiation (Quad Chart) [Poster]

Objective: We will research how short (ns) and ultrashort (fs) laser pulses interact with the surfaces of various materials to create complex color layers and morphological patterns. Method: We are investigating the site-specific, formation of microcolor features. Also, research includes a fundamental study of the physics underlying periodic ripple formation during femtosecond laser irradiation. Status of effort: Laser induced color markings were demonstrated on an increased number of materials (including metal thin films) and investigated for optical properties and microstructure. Technology that allows for marking curved surfaces (and large areas) has been implemented. We have used electro-magnetic solvers to model light-solid interactions leading to periodic surface ripple patterns. This includes identifying the roles of surface plasmon polaritons. Goals/Milestones: Research corrosion resistance of oxide color markings (salt spray, fog, polarization tests); Through modeling, investigate effects of multi-source scattering and interference on ripple patterns; Investigate microspectrophotometry for mapping color; and Investigate new methods for laser color marking curved surfaces and large areas.

36 MATERIALS SCIENCE↗
NASA NTRS2003

Micro-Raman Analysis of Irradiated Diamond Films

Owing to its unique and robust physical properties, diamond is a much sought after material for use in advanced technologies, even in Microelectromechanical Systems (MEMS). The volume and weight savings promised by MEMS-based devices are of particular interest to spaceflight applications. However, much basic materials science research remains to be completed in this field. Results of micro-Raman analysis of proton (10(exp 15) - 10(exp 17) H(+)/sq cm doses) irradiated chemical vapor deposited (CVD) films are presented and indicate that their microstructure is retained even after high radiation exposure.

Newton, Robert L.↗
DOE OSTI2017

High-performance formamidinium-based perovskite solar cells via microstructure-mediated δ-to-α phase transformation

The δ → α phase transformation is a crucial step in the solution-growth process of formamidinium-based lead triiodide (FAPbI 3 ) hybrid organic–inorganic perovskite (HOIP) thin films for perovskite solar cells (PSCs). Because the addition of cesium (Cs) stabilizes the α phase of FAPbI 3 -based HOIPs, here our research focuses on FAPbI 3 (Cs) thin films. We show that having a large grain size in the δ-FAPbI 3 (Cs) non-perovskite intermediate films is essential for the growth of high-quality α-FAPbI 3 (Cs) HOIP thin films. Here grain coarsening and phase transformation occur simultaneously during the thermal annealing step. A large starting grain size in the δ-FAPbI 3 (Cs) thin films suppresses grain coarsening, precluding the formation of voids at the final α-FAPbI 3 (Cs)–substrate interfaces. PSCs based on the interface void-free α-FAPbI 3 (Cs) HOIP thin films are much more efficient and stable in the ambient atmosphere. This interesting finding inspired us to develop a simple room-temperature aging method for preparing coarse-grained δ-FAPbI 3 (Cs) intermediate films, which are subsequently converted to coarse-grained, high-quality α-FAPbI 3 (Cs) HOIP thin films. As a result, this study highlights the importance of microstructure meditation in the processing of formamidinium-based PSCs.

14 SOLAR ENERGY↗
DOE OSTI2020

Experimental and theoretical evidence for hydrogen doping in polymer solution-processed indium gallium oxide

The field-effect electron mobility of aqueous solution-processed indium gallium oxide (IGO) thin-film transistors (TFTs) is significantly enhanced by polyvinyl alcohol (PVA) addition to the precursor solution, a >70-fold increase to 7.9 cm 2 /Vs. To understand the origin of this remarkable phenomenon, microstructure, electronic structure, and charge transport of IGO:PVA film are investigated by a battery of experimental and theoretical techniques, including In K-edge and Ga K-edge extended X-ray absorption fine structure (EXAFS); resonant soft X-ray scattering (R-SoXS); ultraviolet photoelectron spectroscopy (UPS); Fourier transform-infrared (FT-IR) spectroscopy; time-of-flight secondary-ion mass spectrometry (ToF-SIMS); composition-/processing-dependent TFT properties; high-resolution solid-state 1 H, 71 Ga, and 115 In NMR spectroscopy; and discrete Fourier transform (DFT) analysis with ab initio molecular dynamics (MD) liquid-quench simulations. The 71 Ga{ 1 H} rotational-echo double-resonance (REDOR) NMR and other data indicate that PVA achieves optimal H doping with a Ga···H distance of ~3.4 Å and conversion from six- to four-coordinate Ga, which together suppress deep trap defect localization. This reduces metal-oxide polyhedral distortion, thereby increasing the electron mobility. Finally, hydroxyl polymer doping thus offers a pathway for efficient H doping in green solvent-processed metal oxide films and the promise of high-performance, ultra-stable metal oxide semiconductor electronics with simple binary compositions.

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

In Situ X-ray Measurements to Follow the Crystallization of BaTiO 3 Thin Films during RF-Magnetron Sputter Deposition

Here, we report on adding an important dimension to the fundamental understanding of the evolution of the thin film micro structure evolution. Thin films have gained broad attention in their applications for electro-optical devices, solar-cell technology, as well storage devices. Deep insights into fundamental functionalities can be realized via studying crystallization microstructure and formation processes of polycrystalline or epitaxial thin films. Besides the fundamental aspects, it is industrially important to minimize cost which intrinsically requires lower energy consumption at increasing performance which requires new approaches to thin film growth in general. Here, we present a state of the art sputtering technique that allows for time-resolved in situ studies of such thin film growth with a special focus on the crystallization via small angle scattering and X-ray diffraction. Focusing on the crystallization of the example material of BaTiO 3 , we demonstrate how a prototypical thin film forms and how detailed all phases of the structural evolution can be identified. The technique is shaped to enable a versatile approach for understanding and ultimately controlling a broad variety of growth processes, and more over it demonstrate how to in situ investigate the influence of single high temperature sputtering parameters on the film quality. It is shown that the whole evolution from nucleation, diffusion adsorption and grain growth to the crystallization can be observed during all stages of thin film growth as well as quantitatively as qualitatively. This can be used to optimize thin-film quality, efficiency and performance.

36 MATERIALS SCIENCE↗
DOE OSTI2018

The Sliding Wear and Friction Behavior of M50-Graphene Self-Lubricating Composites Prepared by Laser Additive Manufacturing at Elevated Temperature

M50 steel is widely applied to manufacture aircraft bearings where service lives are mainly determined by the friction and wear behaviors. The main purpose of this study is to investigate the tribological behaviors and wear mechanisms of M50-1.5 wt.% graphene composites (MGC) prepared by laser additive manufacturing (LAM) (MGC-LAM) sliding against Si{sub 3}N{sub 4} ball from 25 to 550 °C at 18 N–0.2 m/s. XRD, EPMA, FESEM, and EDS mapping were conducted to understand the major mechanisms leading to the improvement in the sliding behavior of MGC-LAM. The results indicated that MGC-LAM showed the excellent friction and wear performance at 25-550 °C for the lower friction coefficient of 0.16-0.52 and less wear rate of 6.1-9.5 × 10{sup −7} mm{sup 3} N{sup −1} m{sup −1}. Especially at 350 °C, MGC-LAM obtained the best tribological performance (0.16, 6.1 × 10{sup −7}mm{sup 3} N{sup −1} m{sup −1}). It was attributed to the dense coral-like microstructure, as well as the formed surface lubricating structure which is composed of the upper uniform lubricating film with massive graphene and the underneath compacted layer.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2013

Characterization of two different orientations of epitaxial niobium thin films grown on MgO(001) surfaces

Epitaxial Nb thin films deposited onto the same crystalline insulating surface can evolve in very different fashions depending on specific deposition conditions, thereby affecting their microstructure, surface morphology and superconducting properties. Here, we examine and compare the microstructure and ensuing surface morphology from two distinct Nb/MgO series each with its own epitaxial registry—namely Nb(001)/MgO(001) and Nb(110)/MgO(001)—leading to distinct surface anisotropy and we closely examine the dynamical scaling of the surface features during growth. We compare our findings with those in other metal/MgO epitaxial systems and for the first time, general scaling formalism is applied to analyze anisotropic surfaces exhibiting biaxial symmetry. Further, Power Spectral Density is applied to the specific problem of thin film growth and surface evolution to qualify the set of deposition conditions leading to smoother surfaces. We find good correlation between the surface morphology and microstructure of the various Nb films with superconducting properties such as their residual resistance ratio and lower critical field.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Morphology and property tuning in ZnO–Ni hybrid metamaterials in vertically aligned nanocomposite (VAN) form

ZnO thin films have attracted significant interest in the past decades owing to their unique wide band gap properties, piezoelectric properties, non-linearity and plasmonic properties. Recent efforts have been made in coupling ZnO with secondary phases to enhance its functionalities, such as Au–ZnO nanocomposite thin films with tunable optical and plasmonic properties. In this work, magnetic nanostructures of Ni are incorporated in ZnO thin films in a vertically aligned nanocomposite (VAN) form to couple magnetic and plasmonic response in a complex hybrid metamaterial system. Nickel (Ni) is of interest due to its ferromagnetic and plasmonic properties along with gold (Au) which is also plasmonic. Therefore, two approaches, namely, tuning of the deposition pressure and use of a ZnO–Au seeding layer have been attempted to achieve unique Ni nanostructures in addition to tuning of the microstructure. Together, both approaches demonstrate a range of microstructures such as core–shell, nanodisk, nanocup, and nanocube-like morphologies not previously attempted. Additionally, there is effective tuning of properties. Specifically, the seeding layer thickness causes hyperbolic behavior as well as redshift in the surface plasmon resonance (SPR) wavelength. The addition of the ZnO–Au seeding layer directly influences the optical properties. Plus, regardless of the different approaches, the films demonstrate magnetic anisotropy based on the composition and microstructure of the film which impacted the saturation magnetization and coercivity. This study demonstrates the potential of ZnO-based complex hybrid metamaterials with coupled electro-magneto-optical properties for integrated photonic devices.

Bhatt, Nirali A. [Purdue Univ., West Lafayette, IN↗
DOE OSTI2016

Fabrications and application of single crystalline GaN for high-performance deep UV photodetectors

High-quality single crystalline Gallium Nitride (GaN) semiconductor has been synthesized using molecule beam epitaxy (MBE) technique for development of high-performance deep ultraviolet (UV) photodetectors. Thickness of the films was estimated by using surface profile meter and scanning electron microscope. Electronic states and elemental composition of the films were obtained using Raman scattering spectroscopy. The orientation, crystal structure and phase purity of the films were examined using a Siemens x-ray diffractometer radiation. The surface microstructure was studied using high resolution scanning electron microscopy (SEM). Two types of metal pairs: Al-Al, Al-Cu or Cu-Cu were used for interdigital electrodes on GaN film in order to examine the Schottky properties of the GaN based photodetector. The characterizations of the fabricated prototype include the stability, responsivity, response and recovery times. Typical time dependent photoresponsivity by switching different UV light source on and off five times for each 240 seconds at a bias of 2V, respectively, have been obtained. The detector appears to be highly sensitive to various UV wavelengths of light with very stable baseline and repeatability. The obtained photoresponsivity was up to 354 mA/W at the bias 2V. Higher photoresponsivity could be obtained if higher bias was applied but it would unavoidably result in a higher dark current. Thermal effect on the fabricated GaN based prototype was discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

An embedded interfacial network stabilizes inorganic CsPbI3 perovskite thin films

Abstract The black perovskite phase of CsPbI 3 is promising for optoelectronic applications; however, it is unstable under ambient conditions, transforming within minutes into an optically inactive yellow phase, a fact that has so far prevented its widespread adoption. Here we use coarse photolithography to embed a PbI 2 -based interfacial microstructure into otherwise-unstable CsPbI 3 perovskite thin films and devices. Films fitted with a tessellating microgrid are rendered resistant to moisture-triggered decay and exhibit enhanced long-term stability of the black phase (beyond 2.5 years in a dry environment), due to increasing the phase transition energy barrier and limiting the spread of potential yellow phase formation to structurally isolated domains of the grid. This stabilizing effect is readily achieved at the device level, where unencapsulated CsPbI 3 perovskite photodetectors display ambient-stable operation. These findings provide insights into the nature of phase destabilization in emerging CsPbI 3 perovskite devices and demonstrate an effective stabilization procedure which is entirely orthogonal to existing approaches.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1985

The structure of ion plated films in relation to coating properties

Ion plating is an ion assisted or glow discharge deposition technique, where ions or energetic atoms transfer energy, momentum and charge to the substrate and the growing film in a manner which can be controlled to favorably modify surface, subsurface chemistry, and microstructure. The glow discharge energizing effects from the initial nucleation stages to the final film growth are discussed. As a result, adherence, coherence, internal stresses, density and morphology of the coatings are significantly improved, over the conventional (nonion-assisted) techniques which in turn favorably affect the surface initiated failures caused by friction, wear, erosion, corrosion and fatigue. Ion plated films because of their graded coating/substrate interface, fine, uniform, densely packed film structure also induce a surface strengthening effect which improved the mechanical properties such as yield, tensile strength and fatigue life. Since a uniform, continuous film can be obtained at lower nominal film thickness, this effect is of great importance in solid film lubrication and in corrosion protection.

Spalvins, T.↗
DOE OSTI2017

The Microstructure and Pitting Resistance of Weld Joints of 2205 Duplex Stainless Steel

2205 duplex stainless steel (DSS) was welded by submerged arc welding. The effects of both heat input and groove type on the ferrite/austenite ratio and elemental diffusion of weld joints were investigated. The relationships among welding joint preparation, ferrite/austenite ratio, elemental diffusion, and pitting corrosion resistance of weld joints were analyzed. When the Ni content of the weld wire deposit was at minimum 2–4% higher than that of 2205 DSS base metal, the desired ratio of ferrite/austenite and elemental partitioning between the austenite and ferrite phases were obtained. While the pitting sensitivity of weld metal was higher than that of base metal, the self-healing capability of the passive film of weld metal was better than that of the base metal when a single V-type groove was used. Furthermore, the heat input should be carefully controlled since pitting corrosion occurred readily in the coarse-grained heat-affected zone near the fusion line of welded joints.

36 MATERIALS SCIENCE↗