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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 235 records · Page 13

Electrical conductivity of multilayered Cu/Nb composites fabricated by accumulative roll bonding

The electrical conductivity of nanolayered copper/niobium composites fabricated using accumulative roll bonding was investigated as a function of layer thickness. Cu/Nb was used as a model system to evaluate the processing-structure–property relationship stemming from the accumulative roll bonding process. The physical properties were compared against samples of individual average layer heights ranging from 193 to 25 nm. The electrical resistivity was measured over a temperature range of ~3–300 K. Analysis on the role of interfaces on temperature dependence is conducted including the residual resistivity ratio and temperature coefficient of resistivity. It was found that electrical resistivity increases with decreasing layer height.

36 MATERIALS SCIENCE↗

Suppression of Midinfrared Plasma Resonance Due to Quantum Confinement in δ-Doped Silicon

The classical Drude model provides an accurate description of the plasma resonance of three-dimensional materials, but only partially explains two-dimensional systems where quantum mechanical effects dominate such as P:δ layers—atomically thin sheets of phosphorus dopants in silicon that induce electronic properties beyond traditional doping. Previously it was shown that P:δ layers produce a distinct Drude tail feature in ellipsometry measurements. However, the ellipsometric spectra could not be properly fit by modeling the δ layer as a discrete layer of classical Drude metal. In particular, even for large broadening corresponding to extremely short relaxation times, a plasma resonance feature was anticipated but not evident in the experimental data. In this work, we develop a physically accurate description of this system, which reveals a general approach to designing thin films with intentionally suppressed plasma resonances. Our model takes into account the strong charge-density confinement and resulting quantum mechanical description of a P:δ layer. Here, we show that the absence of a plasma resonance feature results from a combination of two factors: (i) the sharply varying charge-density profile due to strong confinement in the direction of growth; and (ii) the effective mass and relaxation time anisotropy due to valley degeneracy. The plasma resonance reappears when the atoms composing the δ layer are allowed to diffuse out from the plane of the layer, destroying its well-confined two-dimensional character that is critical to its distinctive electronic properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

GaN thermal transport limited by the interplay of dislocations and size effects

Measurements and first-principles calculations probe the temperature-dependent thermal conductivity (k) of GaN films with large densities of highly oriented dislocations. We demonstrate that phonon-dislocation scattering is weaker than suggested by previous measurements, likely due to sample and experiment size effects. Nonetheless, dislocation-limited k is observed in samples with large dislocation densities and at lower temperatures where k anisotropy is also observed. Combination of experiment and theory give insights into the interplay of thermal resistance mechanisms limiting GaN functionalities and suggest pathways for tuning k via defect engineering.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Mapping hidden space-charge distributions across crystalline metal oxide/group IV semiconductor interfaces

The electronic structures of semiconducting heterojunctions are critically dependent on composition including the presence and concentrations of dopants, both intended and unintended. Dopant profiles in the interfacial region can have major effects on band energies which in turn drive transport properties. Here, in this study, we use core-level photoelectron line shapes excited with hard x rays to extract information about electric fields resulting from internal charge transfer in epitaxial La 0.03 Sr 0.97 Zr x Ti 1–x O 3 /Ge(001) (0.1≤x≤0.7) heterostructures. Experiments were carried out for heterojunctions involving both n- and p-type Ge substrates. These heterojunctions were not amenable to electronic characterization of all regions by transport measurements because the doped substrates act as electrical shunts, precluding probing the more resistive films and masking interface conductivity. However, the core-level line shapes were found to be a rich source of information on built-in potentials that exist throughout the heterostructure, and yielded valuable insight into the impact of band bending on band alignment at the buried interfaces. The electronic effects expected for Ge with uniform n- and p-type doping are eclipsed by those of unintended oxygen dopants in the Ge near the interface. This study illustrates the power of hard x-ray photoemission spectroscopy and related modeling to determine electronic structure in material systems for which insight from traditional transport measurements is limited.

36 MATERIALS SCIENCE↗

Sweeping Jet Film Cooling at High Blowing Ratio on a Turbine Vane

Abstract Experimental and numerical investigations were performed to study the effects of high blowing ratios and high freestream turbulence on sweeping jet film cooling. Experiments were conducted on a nozzle guide vane suction surface in a low-speed linear cascade at a range of blowing ratios of 0.5–3.5 and freestream turbulence of 0.6% and 14.3%. Infrared thermography was used to estimate the adiabatic cooling effectiveness. Thermal field and boundary layer measurements were conducted at a cross-plane at x/D = 12 downstream of the hole exit. Results were compared with a baseline 777-shaped hole and showed that the sweeping jet hole has improved cooling effectiveness at high blowing ratios (M > 1). The thermal field data revealed that the coolant separates from the surface at high blowing ratios for the 777-shaped hole while the coolant remains attached for the sweeping jet hole. Boundary layer measurements further confirmed that due to the sweeping motion of the jet, the effective jet momentum of the sweeping jet hole remains much lower than that of a 777-shaped hole. Thus, the coolant remains closer to the wall even at high blowing ratios. Large Eddy simulations (LES) were performed for both the sweeping jet and 777-shaped hole to evaluate the interaction between the coolant jet and the freestream in the near hole regions. Results showed that 777-shaped hole has a strong jetting at high blowing ratio that originates inside the hole breakout edges thus causing the jet to blow-off from the surface. In contrast, the sweeping jet does not show this behavior due to its internal geometry and flapping motion of the jet.

Engineering↗

Metal-Complex Inks for Lower Cost and Improved Passivation for Silicon Photovoltaic Metallization

This contribution introduces the silicon PV community to screen-printable metal-complex inks that potentially will reduce Ag usage in Si PV metallization to one-quarter and costs to one-third that of traditional particle-based pastes while also improving passivation. Metal-complex inks are formulated using a Tollen’s reaction to produce inks with a high percentage of diamminesilver (I) cations (22 wt %) in a solution of acetate and formate anions. When printed and dried, labile ammonia ligands evaporate, leaving behind silver cations which, when reduced by formate anions and acetic acid, plate out silver and silver acetate. When annealed to just 300 °C a dense metallic silver film forms with excellent conductivity, and adhesion to silicon. When compared to traditional particle-based screen-printing pastes, the metal-complex inks are much denser, have higher conductivity, use less Ag, and are a fraction of the cost. Importantly, the inks anneal from 90 – 450 °C allowing for improved passivation schemes compared with fired SiNx. This contribution highlights first experiments on the improved passivation of metallized poly-Si/SiO2 passivated contacts using metal-complex Ag inks.

Young, David L. (ORCID:0000000340970493)↗

Method for fabricating superconducting devices using a focused ion beam

Nano-scale junctions, wires, and junction arrays are created by using a focused high-energy ion beam to direct-write insulating or poorly conducting barriers into thin films of materials that are sensitive to disorder, including superconductors, ferromagnetic materials and semiconductors.

Cybart, Shane A.↗

Metal-Complex Inks for Lower Cost and Improved Passivation for Silicon Photovoltaic Metallization

This contribution introduces the silicon PV community to screen-printable metal-complex inks that potentially will reduce Ag usage in Si PV metallization to one-quarter and costs to one-third that of traditional particle-based pastes while also improving passivation. Metal-complex inks are formulated using a Tollen's reaction to produce inks with a high percentage of diamminesilver (I) cations (22 wt %) in a solution of acetate and formate anions. When printed and dried labile ammonia ligands evaporate, leaving behind silver cations which, when reduced by formate anions and acetic acid, plate out silver and silver acetate. When annealed to just 300 degrees C a dense metallic silver film forms with excellent conductivity, and adhesion to silicon. When compared to traditional particle-based screen-printing pastes, the metal-complex inks are much denser, have higher conductivity, use less Ag, and are a fraction of the cost. Importantly, the inks anneal from 90 - 450 degrees C allowing for better passivation schemes than fired SiNx. This contribution highlights first experiments on the improved passivation of metallized poly-Si/SiO2 passivated contacts using metal-complex, Ag inks compared with particle-based, fired pastes.

metal-complex ink↗

Fabrication of Large-Area Metal-on-Carbon Catalytic Condensers for Programmable Catalysis

Catalytic condensers stabilize charge on either side of a high-k dielectric film to modulate the electronic states of a catalytic layer for the electronic control of surface reactions. Here, carbon sputtering provided for fast, large-scale fabrication of metal–carbon catalytic condensers required for industrial application. Carbon films were sputtered on HfO 2 dielectric/p-type Si with different thicknesses (1, 3, 6, and 10 nm), and the enhancement of conductance and capacitance of carbon films was observed upon increasing the carbon thickness following thermal treatment at 400 °C. After Pt deposition on the carbon films, the Pt catalytic condenser exhibited a high capacitance of ∼210 nF/cm 2 that was maintained at a frequency ∼1000 Hz, satisfying the requirement for a dynamic catalyst to implement catalytic resonance. Temperature-programmed desorption of carbon monoxide yielded CO desorption peaks that shifted in temperature with the varying potential applied to the condenser (−6 or +6 V), indicating a shift in the binding energy of carbon monoxide on the Pt condenser surface. A substantial increase in capacitance (∼2000 nF/cm 2 ) of the Pt-on-carbon devices was observed at elevated temperatures of 400 °C that can modulate ∼10% of charge per metal atom when 10 V potential was applied. A large catalytic condenser of 42 cm 2 area Pt/C/HfO 2 /Si exhibited a high capacitance of 9393 nF with a low leakage current/capacitive current ratio (<0.1), demonstrating the practicality and versatility of the facile, large-scale fabrication method for metal–carbon catalytic condensers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Structure-property relationships and mobility optimization in sputtered La-doped BaSn O 3 films: Toward 100cm 2 V -1 s -1

he wide band gap semiconducting perovskite BaSnO 3 is of high current interest due to outstanding room temperature mobility at high electron density, fueled by potential applications in oxide, transparent, and power electronics. Due in part to a lack of lattice-matched substrates, BaSnO 3 thin films suffer from high defect densities, however, limiting electron mobility. Additionally, the vast majority of BaSnO 3 thin film research has focused on pulsed laser deposition or molecular beam epitaxy. In this work, we present an exhaustive optimization of the mobility of Ba 0.98 La 0.02 SnO 3 films grown by a scalable, high-throughput method: high-pressure-oxygen sputter deposition. Considering target synthesis conditions, substrate selection, buffer layer structure, deposition temperature, deposition rate, thickness, and postdeposition annealing conditions, and by combining high-resolution x-ray diffraction, reciprocal space mapping, rocking curve analysis, scanning transmission electron microscopy, atomic force microscopy, and temperature-dependent electronic transport measurements, detailed understanding of synthesis-structure-property relationships is attained. Optimized room temperature mobility of 96 cm 2 V –1 s –1 is achieved in vacuum-annealed GdScO 3 (110)/BaSnO 3 (120 nm)/Ba 0.98 La 0.02 SnO 3 (200 nm) heterostructures, as well as 92 cm 2 V –1 s –1 on unbuffered substrates and 87 2 V –1 s –1 without postdeposition annealing. These results, including important trends in defect densities and a surprising dependence of mobility on lattice mismatch, substantially expand the understanding of the interplay between deposition conditions, microstructure, and transport in doped BaSnO 3 films, establishing competitive mobilities in films fabricated via a scalable, high-throughput, industry-standard technique.

36 MATERIALS SCIENCE↗

NanoMechanics: Elasticity and Friction in Nano‐Objects

A large scientific and technological effort is underway to investigate the properties of two‐dimensional (2D) materials to become building blocks in integrated nano‐electronic and photonic circuits, composites, coatings, energy harvesting nano‐ systems, nano‐sensors, and nano‐electro‐mechanical systems (NEMS).While several experiments and calculations have revealed exciting novel phenomena in these nanostructures, many scientific and technological questions remain open. In particular, understanding and controlling the structure and mechanical properties of 2D materials at the interface with a solid surface is of key importance to enable the aforementioned nanotechnologies, as well as to fulfill the potential of strain engineering to tailor their properties. The vision of this DoE research program was to investigate novel mechanical properties and phenomena in 1D and 2D materials with the overarching goal of defining a new basic understanding of mechanical behavior in nano and quantum systems. The group of the PI has developed in the last years several studies on the mechanical properties of Carbon nanotubes and oxide nanobelts, more recently the PI has focused her attention on the properties of two‐dimensional materials, such as graphene and MoS 2 , which are a few‐atomic‐layer thick films and hold a great potential for technological and energy applications. The most studied 2D material is graphene, existing as a single layer of graphite or a few‐layer thick epitaxial graphene film. Graphene possesses a large in‐plane Young’s modulus as well as high intrinsic carrier mobility, and high in‐plane thermal conductivity. Besides graphene, also 2D films of graphene oxide (GO), hexagonal Boron Nitride (h‐BN), and transition metal dichalcogenides such as MoS 2 exhibit unique and excellent properties and hold great promise for nanotechnology applications. This research program was aimed at developing a new basic understanding of the mechanical properties of 1D and 2D materials at the interface with solid substrates, with a focus on the role of defects, materials structure, and substrate interaction. Ultimately, we aimed at developing the basic knowledge and experimental tools for manipulating 1D and 2D materials’ structure, stacking, substrate interaction, defects, and number of layers to realize an entirely new class of ultra‐hard, ultra‐thin, and ultra‐light active materials with ad‐ hoc mechanical properties for a variety of applications.

2D Materials↗

Compositions and methods for energy storage device electrodes

An energy storage device can include a cathode, an anode, and a separator between the cathode and the anode, where the anode and/or electrode includes an electrode film having a super-fibrillized binder material and carbon. The electrode film can have a reduced quantity of the binder material while maintaining desired mechanical and/or electrical properties. A process for fabricating the electrode film may include a fibrillization process using reduced speed and/or increased process pressure such that fibrillization of the binder material can be increased. The electrode film may include an electrical conductivity promoting additive to facilitate decreased equivalent series resistance performance. Increasing fibrillization of the binder material may facilitate formation of thinner electrode films, such as dry electrode films.

Raman, Santhanam↗

Compositions and methods for energy storage device electrodes

An energy storage device can include a cathode, an anode, and a separator between the cathode and the anode, where the anode and/or electrode includes an electrode film having a super-fibrillized binder material and carbon. The electrode film can have a reduced quantity of the binder material while maintaining desired mechanical and/or electrical properties. A process for fabricating the electrode film may include a fibrillization process using reduced speed and/or increased process pressure such that fibrillization of the binder material can be increased. The electrode film may include an electrical conductivity promoting additive to facilitate decreased equivalent series resistance performance. Increasing fibrillization of the binder material may facilitate formation of thinner electrode films, such as dry electrode films.

Raman, Santhanam↗

Nanoscale Li, Na, and K ion-conducting polyphosphazenes by atomic layer deposition

A key trailblazer in the development of thin-film solid-state electrolytes has been lithium phosphorous oxynitride (LiPON), the success of which has led to recent progress in thin-film ion conductors. Here we compare the structural, electrochemical, and processing parameters between previously published LiPON and NaPON ALD processes with a novel ALD process for the K analogue potassium phosphorous oxynitride (KPON). In each ALD process, alkali tert-butoxides and diethylphosphoramidate are used as precursors. To understand the ALD surface reactions, this work proposes a reaction mechanism determined by in-operando mass spectrometry for the LiPON process as key to understanding the characteristics of the APON (A = Li, Na, K) family. As expected, NaPON and LiPON share similar reaction mechanisms as their structures are strikingly similar. KPON, however, exhibits similar ALD process parameters but the resulting film composition is quite different, showing little nitrogen incorporation and more closely resembling a phosphate glass. Due to the profound difference in structure, KPON likely undergoes an entirely different reaction mechanism. Furthermore, this paper presents a comprehensive summary of ALD ion conducting APON films as well as a perspective that highlights the versatility of ALD chemistries as a tool for the development of novel thin film ion-conductors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A three-dimensional interconnected polymer/ceramic composite as a thin film solid electrolyte

In this work we introduce an approach to fabricate a solid composite electrolyte film that is thin, ionically conductive, and mechanically robust with good potential for manufacturability, in the application of lithium metal batteries. First a doped-lithium aluminum titanium phosphate ceramic thin film with thickness of ~25 μm is formed by aqueous spray coating, a scalable process. The film is partially sintered to form a three-dimensionally interconnected structure with a dense backbone. It is then backfilled with a crosslinkable poly(ethylene oxide) (PEO)-based polymer electrolyte. We report the composite has very high ceramic loading of 77 wt% (61 vol%) and an ionic conductivity of 3.5 × 10 -5 S/cm at 20 °C with an activation energy of 0.43 eV. The main ion transport pathway is through the ceramic network, predicted by modelling and verified by experiments. Owing to the interconnected structure of the ceramic, the composite electrolyte exhibits much improved mechanical strength.

25 ENERGY STORAGE↗

Metal-like Charge Transport in PEDOT(OH) Films by Post-processing Side Chain Removal from a Soluble Precursor Polymer

Herein, a route to produce highly electrically conductive doped hydroxymethyl functionalized poly(3,4-ethylenedioxythiophene) (PEDOT) films, termed PEDOT(OH) with metal-like charge transport properties using a fully solution processable precursor polymer is reported. Further, this is achieved via an ester-functionalized PEDOT derivative [PEDOT(EHE)] that is soluble in a range of solvents with excellent film-forming ability. PEDOT(EHE) demonstrates moderate electrical conductivities of 20–60 S cm -1 and hopping-like (i.e., thermally activated) transport when doped with ferric tosylate (FeTos 3 ). Upon basic hydrolysis of PEDOT(EHE) films, the electrically insulative side chains are cleaved and washed from the polymer film, leaving a densified film of PEDOT(OH). These films, when optimally doped, reach electrical conductivities of ≈1200 S cm -1 and demonstrate metal-like (i.e., thermally deactivated and band-like) transport properties and high stability at comparable doping levels.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗