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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 1,333 records · Page 74
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Impact of post metal annealing on gate work function engineering for advanced MOS applications

Ultra thin HfO{sub 2} high-k gate dielectric has been deposited directly on strained Si{sub 0.81}Ge{sub 0.19} by Atomic Layer Deposition (ALD) technique. The influence of different types of metal gate electrodes (Al, Au, Pt) on electrical characteristics of Metal-Oxide-Semiconductor capacitors has been studied. Our results show that the electrical characteristics of MOS device are highly dependent on the gate electrodes used. The dependency of electrical characteristics on post metal annealing was studied in detail. The measured flat band (V{sub fb}) and hysteresis (ΔV{sub fb}) from high frequency C-V characteristics were used to study the pre-existing traps in the dielectric. Impact of PMA on interface state density (D{sub it}), border trap density (N{sub bt}) and oxide trap density (Q{sub f/q}) of high-k gate stack were also examined for all the devices. The N{sub bt} and frequency dispersion significantly reduces to ~2.77x1010 cm{sup −2} and ~11.34 % respectively in case of Al electrode with a Dit value of ~4x10{sup 12} eV{sup −1}cm{sup −2} after PMA (350°C) in N{sub 2}, suggesting an improvement in device performance while Pt electrode shows a much less value of ΔVfb (~0.02 V) and Dit (~3.44x10{sup 12} eV{sup −1}cm{sup −2}) after PMA.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Synthesis and characterization of nickel oxide/graphene sheet/graphene ribbon composite

A novel and simple hydrothermal synthesis of nickel oxide (NiO)/graphene sheets (GNS)/graphene ribbon (GR) hybrid material is reported for the first time. The crystalline property and surface morphology of NiO/GNS/GR (NiO/HG) hybrid material is characterized by X-ray diffraction, Raman spectroscopy and Transmission electron spectroscopy. The fast electron transfer of GNS/GR along with NiO contributes an excellent electrochemical performance in the field of non-enzymatic glucose sensor.

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

CdSexTe1-x/CdTe Devices with Reduced Interface Recombination Through Novel Back Contacts and Group-V Doping

Since excellent carrier lifetimes and front interface electronic quality are now achieved, rear interface recombination can limit V OC in CdSexTe1-x/CdTe solar cells. Several back-contact structures for devices were fabricated using combinations of tellurium, aluminum oxide, amorphous silicon, and indium tin oxide (ITO). Time-resolved photoluminescence was used to characterize such structures. We show increasingly improved interface passivation through the subsequent use of aluminum oxide, amorphous silicon, and ITO. Additionally, we show that arsenic-doped absorbers form a more passive interface with numerous back contact structures.

aluminum oxide↗
DOE OSTI2022

All Solid-State Li/LLZO/LCO Battery Enabled by Alumina Interfacial Coating

Li 7 La 3 Zr 2 O 12 (LLZO) garnet-type lithium-ion conductors are being investigated as a promising solid electrolyte for solid-state lithium batteries. To enable a functional all-solid-state configuration intensive investigations are needed to reduce the cathode/electrolyte interfacial resistance which contributes the most to cell performance loss. Among the commercial cathode materials investigated so far, LiCoO 2 (LCO) is one of the most stable with garnet electrolytes as only a superficial reaction has been detected between the two materials. However, even this minor reaction would block the Li-ion transport through the interface, resulting in deteriorated cell performance. In this work, we demonstrate that a thin aluminum oxide layer (5 nm) can be an effective interlayer to impede the formation of a harmful interphase and enable facile Li-ion transfer between LCO and the LLZO garnet. Room-temperature-sputtered LCO thin films were employed to form an interface with the garnet electrolyte and annealed at 800 °C to reveal the effect of the interfacial reaction on the Li-ion transfer across the interface. An aluminum oxide layer was then introduced between LCO and the garnet electrolyte by sputtering a metallic aluminum layer which is then annealed together with the upper LCO layer in oxygen, or by direct atomic layer deposition of the oxide. Compared to the LCO/LLZO/Li cells without an aluminum oxide interlayer, those with the interlayer exhibited improved performance, i.e., a stable discharge capacity of up to 90 mAh/(g LCO) at a C/10 rate, a rate capability up to 1.68C and a stable galvanostatic cycling at 0.1C for over 100 cycles with a discharge capacity fade rate of 0.15% per cycle. It was determined that aluminum diffused into the LCO layer after preventing the initial detrimental reaction between LCO and the LLZO garnet from happening during high temperature annealing, suggesting that the coating does not have to remain a physically blocking layer during cycling to function.

Electrochemistry↗
DOE OSTI2021

Understanding Electrical Conduction and Nanopore Formation During Controlled Breakdown

Controlled breakdown has recently emerged as a highly appealing technique to fabricate solid-state nanopores for a wide range of biosensing applications. This technique relies on applying an electric field of approximately 0.4–1 V nm –1 across the membrane to induce a current, and eventually, breakdown of the dielectric. Although previous studies have performed controlled breakdown under a range of different conditions, the mechanism of conduction and breakdown has not been fully explored. Here, electrical conduction and nanopore formation in SiN x membranes during controlled breakdown is studied. It is demonstrated that for Si-rich SiN x , oxidation reactions that occur at the membrane-electrolyte interface limit conduction across the dielectric. However, for stoichiometric Si 3 N 4 the effect of oxidation reactions becomes relatively small and conduction is predominately limited by charge transport across the dielectric. Several important implications resulting from understanding this process are provided which will aid in further developing controlled breakdown in the coming years, particularly for extending this technique to integrate nanopores with on-chip nanostructures.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Hydrogen generation via ammonia decomposition on highly efficient and stable Ru-free catalysts: approaching complete conversion at 450 °C

We report Hydrogen (H 2 ) is a prospective zero-carbon and high-energy-density fuel alternative to fossil fuels for generating power and clean energy. Ammonia (NH 3 ) is a promising H 2 (17.7%) carrier, which can easily overcome the challenges associated with H 2 storage and transportation. Thermocatalytic ammonia decomposition reaction (ADR) is an effective way to produce clean H 2 but it relies on the use of expensive and rare ruthenium (Ru)-based catalysts at elevated temperatures (>500 °C), hence is not sustainable and economically feasible. Herein, we report a synergistic strategy to design a heterostructured Ru-free catalyst, consisting of CoNi alloy nanoparticles well-dispersed on a MgO–CeO 2 –SrO mixed oxide support with potassium promotion. The resulting K–CoNi alloy –MgO–CeO 2 –SrO catalyst presents 97.7% and 87.5% NH 3 conversion efficiency at 450 °C at gas hourly space velocities (GHSVs) of 6000- and 12 000-mL h -1 g cat -1 , respectively. At 500 °C, the H 2 production rate (57.75 mmol g cat -1 min -1 ) becomes comparable to that of most of the reported Ru-based catalysts. The catalyst stability has been successfully demonstrated in both a fixed-bed reactor under high pressure (120 h at 5.0 bar) and a membrane reactor prototype (600 h at 1.5 bar) at 500 °C. High-temperature in situ XPS analysis, temperature-programmed desorption/reduction, and density functional theory calculations have been carried out to elucidate the possible active sites and performance enhancement mechanisms. This work highlights the importance of constructing optimal interfaces between active metal nanoparticles and oxide support for boosting the NH 3 to H 2 conversion efficiency and long-term stability.

25 ENERGY STORAGE↗
DOE OSTI2014

Studies of Heterogeneously Catalyzed Liquid-Phase Alcohol Oxidation on Platinum bySum-frequency Generation Vibrational Spectroscopy and Reaction Rate Measurements

Compared to many branches of chemistry, the molecular level study of catalytically active surfaces is young. Only with the invention of ultrahigh vacuum technology in the past half century has it been possible to carry out experiments that yield useful molecular information about the reactive occurrences at a surface. The reason is two-fold: low pressure is necessary to keep a surface clean for an amount of time long enough to perform an experiment, and most atomic scale techniques that are surface speci c (x-ray photoelectron spectroscopy, electron energy loss spectroscopy, Auger electron spectroscopy, etc.) cannot be used at ambient pressures, because electrons, which act as chemical probes in these techniques, are easily scattered by molecules. Sum-frequency generation (SFG) vibrational spectroscopy is one technique that can provide molecular level information from the surface without the necessity for high vacuum. Since the advent of SFG as a surface spectroscopic tool it has proved its worth in the studies of surface catalyzed reactions in the gas phase, with numerous reactions in the gas phase having been investigated on a multitude of surfaces. However, in situ SFG characterization of catalysis at the solid-liquid interface has yet to be thoroughly pursued despite the broad interest in the use of heterogeneous catalysts in the liquid phase as replacements for homogeneous counterparts. This work describes an attempt to move in that direction, applying SFG to study the solid-liquid interface under conditions of catalytic alcohol oxidation on platinum.

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

Programming interfacial energetic offsets and charge transfer in β-Pb 0.33 V 2 O 5 /quantum-dot heterostructures: Tuning valence-band edges to overlap with midgap states

Here, semiconductor heterostructures for solar energy conversion interface light-harvesting semiconductor nanoparticles with wide-band-gap semiconductors that serve as charge acceptors. In such heterostructures, the kinetics of charge separation depend on the thermodynamic driving force, which is dictated by energetic offsets across the interface. A recently developed promising platform interfaces semiconductor quantum dots (QDs) with ternary vanadium oxides that have characteristic midgap states situated between the valence and conduction bands. In this work, we have prepared CdS/β-Pb 0.33 V 2 O 5 heterostructures by both linker-assisted assembly and surface precipitation and contrasted these materials with CdSe/β-Pb 0.33 V 2 O 5 heterostructures prepared by the same methods. Increased valence-band (VB) edge onsets in X-ray photoelectron spectra for CdS/β-Pb 0.33 V 2 O 5 heterostructures relative to CdSe/β-Pb 0.33 V 2 O 5 heterostructures suggest a positive shift in the VB edge potential and, therefore, an increased driving force for the photoinduced transfer of holes to the midgap state of β-Pb 0.33 V 2 O 5 . This approach facilitates a ca. 0.40 eV decrease in the thermodynamic barrier for hole injection from the VB edge of QDs suggesting an important design parameter. Transient absorption spectroscopy experiments provide direct evidence of hole transfer from photoexcited CdS QDs to the midgap states of β-Pb 0.33 V 2 O 5 NWs, along with electron transfer into the conduction band of the β-Pb 0.33 V 2 O 5 NWs. Hole transfer is substantially faster and occurs at <1-ps time scales, whereas completion of electron transfer requires 5—30 ps depending on the nature of the interface. The differentiated time scales of electron and hole transfer, which are furthermore tunable as a function of the mode of attachment of QDs to NWs, provide a vital design tool for designing architectures for solar energy conversion. More generally, the approach developed here suggests that interfacing semiconductor QDs with transition-metal oxide NWs exhibiting intercalative midgap states yields a versatile platform wherein the thermodynamics and kinetics of charge transfer can be systematically modulated to improve the efficiency of charge separation across interfaces.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Influence of Water Transport Across Microscale Bipolar Interfaces on the Performance of Direct Borohydride Fuel Cells

Direct borohydride fuel cells (DBFCs) can operate at double the voltage of proton exchange membrane fuel cells (PEMFCs) by employing an alkaline NaBH 4 fuel feed and an acidic H 2 O 2 oxidant feed. The pH-gradient-enabled microscale bipolar interface (PMBI) facilitates the creation and maintenance of an alkaline environment at the anode and an acidic environment at the cathode for the borohydride oxidation and peroxide reduction reactions. However, given the need to dissociate water at the interface to ensure ionic conduction, PMBI can be efficient only when anion exchange ionomer (AEI) moieties enable fast water transport for autoprotolysis. Herein, a series of polynorbornene-based AEIs with a range of water uptake values are examined to unravel the optimum water uptake required to enable high performance DBFCs. The DBFC with PMBI configuration containing the optimal AEI composition delivers a current density of 302 mA cm –2 at 1.5 V and a peak power density of 580 mW cm –2 at 1 V. This AEI composition exhibits high hydroxide ionic conductivity of 90.7 mS cm –1 at 80 °C with an IEC of 2.01 mequiv g –1 and demonstrates impressive chemical stability by retaining 98.75% of its initial ionic conductivity after immersion into anolyte (3 M KOH and 1.5 M NaBH 4 ) at 70 °C for 536 h.

25 ENERGY STORAGE↗
DOE OSTI2014

Influence of solvent on the morphology and photocatalytic properties of ZnS decorated CeO{sub 2} nanoparticles

Herein, we report a theoretical and experimental study on the photocatalytic activity of CeO{sub 2} ZnS, and ZnS decorated CeO{sub 2} nanoparticles prepared by a microwave-assisted solvothermal method. Theoretical models were established to analyze electron transitions primarily at the interface between CeO{sub 2} and ZnS. As observed, the particle morphology strongly influenced the photocatalytic degradation of organic dye Rhodamine B. A model was proposed to rationalize the photocatalytic behavior of the prepared decorated systems taking into account different extrinsic and intrinsic defect distributions, including order-disorder effects at interfacial and intra-facial regions, and vacancy concentration.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Plasma parameters and the reduction potential at a plasma-liquid interface

We report nonthermal plasmas in contact with liquids have been shown to generate a variety of reactive species capable of initiating reduction–oxidation (redox) reactions at the electrochemically active plasma–liquid interface. In conventional electrochemical cells, selective redox chemistry is achieved by controlling the reduction potential at the solid electrode–electrolyte interface by applying a bias via an external circuit. In the case of plasma–liquid systems, an analogous means of tuning the reduction potential near the interface has not clearly been identified. When treated as a floating surface, the liquid is expected to adopt a net negative charge to balance the flux of hot electrons and relatively cold positive ions. The reduction potential near the plasma–liquid interface is hypothesized to be proportional to the floating potential, which can be approximated using an analytical model provided the plasma parameters are known. Herein, we present a framework for correlating the electron density and electron temperature of a noble gas plasma jet to the reduction potential near the plasma–liquid interface. The plasma parameters were acquired for an argon atmospheric plasma jet in contact with an aqueous solution by means of laser Thomson scattering. The reduction potential was determined using identical reference electrodes to measure the potential difference between the plasma–liquid interface and bulk solution. Interestingly, the measured reduction potentials near the plasma–liquid interface were found to be in good agreement with the model-predicted values determined using the plasma parameters obtained from the Thomson scattering experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

The influence of molecular interface modification on the charge dynamics of polymeric semiconductor:ZnO heterostructure

We demonstrate an enhancement of photocurrent in hybrid photovoltaic cells based on nanoparticles of zinc oxide (ZnO) and poly(3-hexylthiophene) (P3HT), through molecular interface modification with and without cis-bis(4,4′-dicarboxy-2,2′bipyridine) ruthenium (II) (N3-dye) and α-Sexithiophen-2-yl-phosphonic Acid (6TP) as interface modifiers. We identify the formation of long-lived polarons at P3HT:ZnO interface by means of quasi-steady-state photoinduced absorption (PIA) spectroscopy. Furthermore, by probing the pump-modulation-frequency-dependent PIA signal, we find that P3HT:ZnO-N3 and P3HT:ZnO-6TP exhibit more sharply decaying density with increasing modulation frequency, which is indicative of a longer average lifetime, approximating 1 ms as opposed to ∼0.2 ms without ZnO surface modification. This highlights the importance of the molecular interface modification in the steady-state polaron dynamics in hybrid solar cells.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Optical properties of anodically degraded ZnO

We discuss the optical properties of non-degraded and anodically degraded boron-doped zinc oxide (ZnO:B) deposited by low-pressure chemical vapour deposition on soda-lime glass. The optical model used to simulate the infrared reflectance in the wavelength range between 1.2 and 25 μm is based on the Maxwell-Garnett effective-medium theory. The model is sensitive to the conditions at the grain boundaries of the investigated polycrystalline ZnO:B films. We confirm that the presence of defect-rich grain boundaries, especially after degradation, causes a highly resistive ZnO:B film. Furthermore, indications of a degraded zinc oxide layer next to the ZnO:B/glass interface with different refractive index are found. We present evidence for the creation of oxygen vacancies, based on Raman investigations, which correlate with a shift of the optical absorption edge of the ZnO:B. Investigations with scanning and transmission electron microscopy show microvoids at the grain boundaries after anodic degradation. This indicates that the grain/grain interfaces are the principle location of defects after degradation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2023

Ionizing Radiation Effects on Hole Collection Backside-Illuminated P-Type Deep-Trench Pinned Photo-MOS Pixels under Image Acquisition

Dark current degradation, origins, and annealing behavior after x-ray irradiation are studied in a P-type, hole collecting, backside-illuminated image sensor currently being developed at STMicroelectronics and based on deep-trenched photo-MOS pixels. Different biasing conditions during irradiation, i.e. grounded or biased and sequenced, are compared. The dark current increase with total ionizing dose (TID) and the dark current annealing behavior seem to be driven by the backside interface between the P-epitaxy of the pixels and the ONO stack. Despite still being under development, this pixel architecture already exhibits both very good electro-optical performance and a better radiation hardness than pinned photodiode-based CMOS Image sensors that benefit from the same advanced CIS processing technologies. At high total dose range, the photogate challenges custom Radiation-Hardened-by-Design photodiodes by exhibiting a comparable radiation tolerance while bringing new features such as high-resolution or Correlated Double Sampling.

CMOS Image Sensor (CIS)↗
DOE OSTI2014

Characterization of a Fe/Y{sub 2}O{sub 3} metal/oxide interface using neutron and x-ray scattering

The structure of metal/oxide interfaces is important to the radiation resistance of oxide dispersion-strengthened steels. We find evidence of gradual variations in stoichiometry and magnetization across a Fe/Y{sub 2}O{sub 3} metal/oxide heterophase interface using neutron and x-ray reflectometry. These findings suggest that the Fe/Y{sub 2}O{sub 3} interface is a transitional zone approximately ∼64 Å-thick containing mixtures or compounds of Fe, Y, and O. Our results illustrate the complex chemical and magnetic nature of Fe/oxide interfaces and demonstrate the utility of combined neutron and x-ray techniques as tools for characterizing them.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Ab-initio simulations of higher Miller index Si:SiO{sub 2} interfaces for fin field effect transistor and nanowire transistors

Models of three representative higher Miller index interfaces, Si(310):SiO{sub 2}, Si(410):SiO{sub 2}, and Si(331):SiO{sub 2}, have been built by an ab-initio molecular dynamics method. We show that each interface can be made as a fully bonded network without any defects and has a reasonable electronic structure for use in fin field effect transistors or gate-all-around nanowire devices. The differences in numbers of oxygen bridges are attributed to the intermediate sub-oxide components and the atomic step structure. The interface bonding schemes to passivate different densities of dangling bonds on different facets are also analyzed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Direct first-principles simulation of a high-performance electron emitter: Lithium-oxide-coated diamond surface

We examined the field emission properties of lithium(Li)/oxygen(O)-co-terminated diamond (001) surface [C(001)-LiO] through real-time electron dynamics simulation under an applied field. The current emitted from this surface was found to be more than four-fold that emitted by an H-terminated (001) surface, the latter being a typical negative electron affinity system. This high performance is attributed to the Li layer, which bends the potential wall of O-induced electron pockets down in the direction of vacuum, thus facilitating electron emission. Detailed analysis of the emitted electrons and the profile of the self-consistent potential elucidated that the role of O atoms changes from an electron barrier on OH-terminated diamond surfaces to an outlet for electron emission on C(001)-LiO.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗