Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “oxide interfaces”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Differences in Printed Contacts Lead to Susceptibility of Silicon Cells to Series Resistance Degradation

Here, in this case study, we investigate a degradation mode occurring at the cell level in fielded multi-Si modules. The modules exhibit a mix of affected and unaffected cells. Affected cells show a progressive, series-resistance-related power degradation as shown via module- and cell-level IV curves, along with electroluminescence (EL) and PL imaging at the module, cell, and cell core sample scales. Scanning electron microscopy and energy-dispersive X-ray spectroscopy reveal a difference in the oxides in the silver paste used in screen printing of the gridline contacts. The paste in the affected cells is lead rich, whereas the paste in the unaffected cells is zinc rich. This suggests that the cells were screen printed with different silver paste compositions and possibly firing conditions, and that the different composition correlates with the susceptibility to degradation. Our results indicate degradation of the contact at the oxide-silver interface, causing a severe increase in series resistance across the cell that continues to progress over time.

14 SOLAR ENERGY↗
DOE OSTI2013

Canted Undulator Upgrade for GeoSoilEnviroCARS Sector 13 at the Advanced Photon Source

Support for the beamline component of the canted undulator upgrade of Sector 13 (GeoSoilEnviroCARS; managed and operated by the University of Chicago) at the Advanced Photon Source (APS; Argonne National Laboratory) was received from three agencies (equally divided): NASA-SRLIDAP (now LARS), NSF-EAR-IF (ARRA) and DOE-Single Investigator Small Group (SISGR). The associated accelerator components (undulators, canted front end) were provided by the APS using DOE-ARRA funding. The intellectual merit of the research enabled by the upgrade lies in advancing our knowledge of the composition, structure and properties of earth materials; the processes they control; and the processes that produce them. The upgrade will facilitate scientific advances in the following areas: high pressure mineral physics and chemistry, non-crystalline and nano-crystalline materials at high pressure, chemistry of hydrothermal fluids, reactions at mineral-water interfaces, biogeochemistry, oxidation states of magmas, flow dynamics of fluids and solids, and cosmochemistry. The upgrade, allowing the microprobe to operate 100% of the time and the high pressure and surface scattering and spectroscopy instruments to receive beam time increases, will facilitate much more efficient use of the substantial investment in these instruments. The broad scientific community will benefit by the increase in the number of scientists who conduct cutting-edge research at GSECARS. The user program in stations 13ID-C (interface scattering) and 13ID-D (laser heated diamond anvil cell and large volume press) recommenced in June 2012. The operation of the 13ID-E microprobe station began in the Fall 2012 cycle (Oct.-Dec 2012). The upgraded canted beamlines double the amount of undulator beam time at Sector 13 and provide new capabilities including extended operations of the X-ray microprobe down to the sulfur K edge and enhanced brightness at high energy. The availability of the upgraded beamlines will advance the research being conducted at Sector 13.

47 OTHER INSTRUMENTATION↗
DOE OSTI2016

Evolution of complementary resistive switching characteristics using IrO{sub x}/GdO{sub x}/Al{sub 2}O{sub 3}/TiN structure

The complementary resistive switching (CRS) characteristics using an IrO{sub x}/GdO{sub x}/Al{sub 2}O{sub 3}/TiN single cell are observed whereas the bipolar resistive switching (BRS) characteristics are observed for the IrO{sub x}/GdO{sub x}/TiN structure. Transmission electron microscope and energy dispersive X-ray spectroscopy depth profile show crystalline GdO{sub x} film and the presence of higher amount of oxygen at both IrO{sub x}/GdO{sub x} interface and Al{sub 2}O{sub 3} layer. Inserting thin Al{sub 2}O{sub 3} layer, the BRS is changed to CRS. This CRS has hopping distance of 0.58 nm and Poole-Frenkel current conductions for the “0” and “1” states, respectively. A schematic model using oxygen vacancy filament formation/rupture at the TE/GdO{sub x} interface and Al{sub 2}O{sub 3} layer has been illustrated. This CRS device has good endurance of 1000 cycles with a pulse width of 1 μs, which is very useful for future crossbar architecture.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Characterization of the reaction products and precipitates at the interface of carbon fiber reinforced magnesium–gadolinium composite

In the present work, carbon fiber reinforced magnesium-gadolinium composite was fabricated by pressure infiltration method. The phase composition, micro-morphology, and crystal structure of reaction products and precipitates at the interface of the composite were investigated. Scanning electron microscopy and energy dispersive spectroscopy analysis revealed the segregation of gadolinium element at the interface between carbon fiber and matrix alloy. It was shown that block-shaped Gd4C5, GdC2 and nano-sized Gd2O3 were formed at the interface during the fabrication process due to the interfacial reaction. Furthermore, magnesium-gadolinium precipitates including needle-like Mg5Gd (or Mg24Gd5) and thin plate-shaped long period stacking-ordered phase, were also observed at the interface and in the matrix near the interface. The interfacial microstructure and bonding mode were influenced by these interfacial products, which were beneficial for the improvement of the interfacial bonding strength. - Highlights: • Gadolinium element segregated on the surface of carbon fibers. • Block-shaped Gd{sub 4}C{sub 5} and GdC{sub 2} were formed at the interface via chemical reaction. • Gadolinium and oxygen reacted at the interface and formed nano-scaled Gd{sub 2}O{sub 3}. • The precipitates formed in the interface were identified to be Mg{sub 5}Gd (or Mg{sub 24}Gd{sub 5}) and plate-shaped long period stacking-ordered phase.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Metal-HfO{sub 2}-Ge capacitor: Its enhanced charge trapping properties with S-treated substrate and atomic-layer-deposited HfO{sub 2} layer

The charge trapping properties of metal-HfO{sub 2}-Ge capacitor as a nonvolatile memory have been investigated with (NH{sub 4}){sub 2}S-treated Ge substrate and atomic-layer-deposited HfO{sub 2} layer. The interfacial layer generated by (NH{sub 4}){sub 2}S-treated Ge substrate reveals a trace of -S- bonding, very sharp interface edges, and smooth surface morphology. The Ru-HfO{sub 2}-Ge capacitor with (NH{sub 4}){sub 2}S-treated Ge substrate shows an enhanced interface state with little frequency dispersion, a lower leakage current, and very reliable properties with the enhanced endurance and retention than Ru-HfO{sub 2}-Ge capacitor with cyclic-cleaned Ge substrate.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

First principles study of metal contacts to monolayer black phosphorous

Atomically thin layered black phosphorous (BP) has recently appeared as an alternative to the transitional metal dichalcogenides for future channel material in a metal-oxide-semiconductor transistor due to its lower carrier effective mass. Investigation of the electronic property of source/drain contact involving metal and two-dimensional material is essential as it impacts the transistor performance. In this paper, we perform a systematic and rigorous study to evaluate the Ohmic nature of the side-contact formed by the monolayer BP (mBP) and metals (gold, titanium, and palladium), which are commonly used in experiments. Employing the Density Functional Theory, we analyse the potential barrier, charge transfer and atomic orbital overlap at the metal-mBP interface in an optimized structure to understand how efficiently carriers could be injected from metal contact to the mBP channel. Our analysis shows that gold forms a Schottky contact with a higher tunnel barrier at the interface in comparison to the titanium and palladium. mBP contact with palladium is found to be purely Ohmic, where as titanium contact demonstrates an intermediate behaviour.

36 MATERIALS SCIENCE↗
NASA NTRS1996

Mullite fiber reinforced reaction bonded Si3N4 composites

Fracture toughnesses of brittle ceramic materials have been improved by introducing reinforcements and carefully tailored interface layers. Silicon carbide and Si3N4 have been emphasized as matrices of structural composites intended for high temperature service because they combine excellent mechanical, chemical, thermal and physical properties. Both matrices have been successfully toughened with SiC fibers, whiskers and particles for ceramic matrix composite (CMC) parts made by sintering, hot pressing or reaction forming processes. These SiC reinforced CMCs have exhibited significantly improved toughnesses at low and intermediate temperature levels, as well as retention of properties at high temperatures for selected exposures; however, they are vulnerable to attack from elevated temperature dry and wet oxidizing atmospheres after the matrix has cracked. Property degradation results from oxidation of interface layers and/or reinforcements. The problem is particularly acute for small diameter (-20 tim) polymer derived SiC fibers used for weavable toes. This research explored opportunities for reinforcing Si3N4 matrices with fibers having improved environmental stability; the findings should also be applicable to SiC matrix CMCs.

Saleh, T.↗
DOE OSTI2012

Cation-Bonding and Protonation of the Fe[subscript 4]-Square Cluster

The synthesis and characterization of discrete, molecular iron-oxo clusters is pursued in the interest of molecular magnets, bioinspired materials and models for the geochemical aqueous-mineral interface. Iron-oxo clusters are challenging to synthesize in water, due to the extremely acidic and reactive nature of dissolved iron species, and thus require chelating ligands to passivate and neutralize the cluster surface. The 2-hydroxy-1,3-N,N,N',N'-diamino-propanetetraacetic acid (HPDTA) ligand has been used to isolate several Al and Fe cluster geometries, including the square clusters Fe{sub 4}(HPDTA){sub 2} and Al{sub 4}(HPDTA){sub 2}. While prior reports on the Fe{sub 4}(HPDTA){sub 2} cluster have focused on the magnetic properties, no solution characterization has been carried out. Using electrospray ionization mass-spectrometry (ESI-MS) we show this anionic Fe{sub 4}(HPDTA){sub 2} cluster can be dissolved intact in water, and recrystallized with virtually any metal as a countercation. The bonding of the metal cation to the square face of the cluster trends with ionic radii of the cations, as shown by structural characterization of Fe{sub 4}(HPDTA){sub 2} with Li{sup +}, Na{sup +}, Cs{sup +}, Mg{sup 2+}, Ba{sup 2+}, La{sup 3+}, Eu{sup 3+}, and Zn{sup 2+}. This trend is similar to that observed for association of cations on metal oxide surfaces in the environment. Furthermore, protonation of the bridging oxo ligands of this series of Fe{sub 4}(HPDTA){sub 2} clusters is variable (0, 1, or 2 protons), and structures as a function of protonation is discussed. This paper, largely structural in nature, sets the foundation for future aqueous phase studies of iron-oxo molecular clusters as models for the oxide-water interface in the natural aqueous environment.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Resistive switching and synaptic properties of fully atomic layer deposition grown TiN/HfO{sub 2}/TiN devices

Recently proposed novel neural network hardware designs imply the use of memristors as electronic synapses in 3D cross-bar architecture. Atomic layer deposition (ALD) is the most feasible technique to fabricate such arrays. In this work, we present the results of the detailed investigation of the gradual resistive switching (memristive) effect in nanometer thick fully ALD grown TiN/HfO{sub 2}/TiN stacks. The modelling of the I-V curves confirms interface limited trap-assisted-tunneling mechanism along the oxygen vacancies in HfO{sub 2} in all conduction states. The resistivity of the stack is found to critically depend upon the distance from the interface to the first trap in HfO{sub 2}. The memristive properties of ALD grown TiN/HfO{sub 2}/TiN devices are correlated with the demonstrated neuromorphic functionalities, such as long-term potentiation/depression and spike-timing dependent plasticity, thus indicating their potential as electronic synapses in neuromorphic hardware.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Band alignment of HfO{sub 2}/multilayer MoS{sub 2} interface determined by x-ray photoelectron spectroscopy: Effect of CHF{sub 3} treatment

The energy band alignment between HfO{sub 2}/multilayer (ML)-MoS{sub 2} was characterized using high-resolution x-ray photoelectron spectroscopy. The HfO{sub 2} was deposited using an atomic layer deposition tool, and ML-MoS{sub 2} was grown by chemical vapor deposition. A valence band offset (VBO) of 1.98 eV and a conduction band offset (CBO) of 2.72 eV were obtained for the HfO{sub 2}/ML-MoS{sub 2} interface without any treatment. With CHF{sub 3} plasma treatment, a VBO and a CBO across the HfO{sub 2}/ML-MoS{sub 2} interface were found to be 2.47 eV and 2.23 eV, respectively. The band alignment difference is believed to be dominated by the down-shift in the core level of Hf 4d and up-shift in the core level of Mo 3d, or the interface dipoles, which caused by the interfacial layer in rich of F.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

Growth of wurtzite InN on bulk In{sub 2}O{sub 3}(111) wafers

A single phase InN epitaxial film is grown on a bulk In{sub 2}O{sub 3}(111) wafer by plasma-assisted molecular beam epitaxy. The InN/In{sub 2}O{sub 3} orientation relationship is found to be (0001) parallel (111) and [1100] parallel [112]. High quality of the layer is confirmed by the small widths of the x-ray rocking curves, the sharp interfaces revealed by transmission electron microscopy, the narrow spectral width of the Raman E{sub 2}{sup h} vibrational mode, and the position of the photoluminescence band close to the fundamental band gap of InN.

36 MATERIALS SCIENCE↗
DOE OSTI2025

The role of the droplet interface in controlling the multiphase oxidation of thiosulfate by ozone

Predicting reaction kinetics in aqueous microdroplets, including aerosols and cloud droplets, is challenging due to the probability that the underlying reaction mechanism can occur both at the surface and in the interior of the droplet. Additionally, few studies directly measure the surface activities of doubly charged anions, despite their prevalence in the atmosphere. Here, deep-UV second harmonic generation spectroscopy is used to probe surface affinities of the doubly charged anions thiosulfate, sulfate, and sulfite, key species in the thiosulfate ozonation reaction mechanism. Thiosulfate has an appreciable surface affinity with a measured Gibbs free energy of adsorption of -7.3 ± 2.5 kJ mol -1 in neutral solution, while sulfate and sulfite exhibit negligible surface propensity. The Gibbs free energy is combined with data from liquid flat jet ambient pressure X-ray photoelectron spectroscopy to constrain the concentration of thiosulfate at the surface in our model. Stochastic kinetic simulations leveraging these novel measurements show that the primary reaction between thiosulfate and ozone occurs at the interface and in the bulk, with the contribution of the interface decreasing from ~65% at pH 5 to ~45% at pH 13. Additionally, sulfate, the major product of thiosulfate ozonation and an important species in atmospheric processes, can be produced by two different pathways at pH 5, one with a contribution from the interface of >70% and the other occurring predominantly in the bulk (>98%). The observations in this work have implications for mining wastewater remediation, atmospheric chemistry, and understanding other complex reaction mechanisms in multiphase environments. Future interfacial or microdroplet/aerosol chemistry studies should carefully consider the role of both surface and bulk chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Surface stability of SrNbO 3+δ grown by hybrid molecular beam epitaxy

4d transition metal oxides have emerged as promising materials for numerous applications including high mobility electronics. SrNbO 3 is one such candidate material, serving as a good donor material in interfacial oxide systems and exhibiting high electron mobility in ultrathin films. However, its synthesis is challenging due to the metastable nature of the d 1 Nb 4+ cation and the limitations in the delivery of refractory Nb. To date, films have been grown primarily by pulsed laser deposition (PLD), but development of a means to grow and stabilize the material via molecular beam epitaxy (MBE) would enable studies of interfacial phenomena and multilayer structures that may be challenging by PLD. To that end, SrNbO 3 thin films were grown using hybrid MBE for the first time using a tris(diethylamido)(tert-butylimido) niobium precursor for Nb and an elemental Sr source on GdScO 3 substrates. Varying thicknesses of insulating SrHfO 3 capping layers were deposited using a hafnium tert-butoxide precursor for Hf on top of SrNbO 3 films to preserve the metastable surface. Grown films were transferred in vacuo for x-ray photoelectron spectroscopy to quantify elemental composition, density of states at the Fermi energy, and Nb oxidation state. Ex situ studies by x-ray absorption near edge spectroscopy and scanning transmission electron microscopy illustrate that the SrHfO 3 capping plays an important role in preserving the crystalline quality of the material and the Nb 4d 1 metastable charge state under atmospheric conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Thermally-driven H interaction with HfO{sub 2} films deposited on Ge(100) and Si(100)

In the present work, we investigated the thermally-driven H incorporation in HfO{sub 2} films deposited on Si and Ge substrates. Two regimes for deuterium (D) uptake were identified, attributed to D bonded near the HfO{sub 2}/substrate interface region (at 300 °C) and through the whole HfO{sub 2} layer (400–600 °C). Films deposited on Si presented higher D amounts for all investigated temperatures, as well as, a higher resistance for D desorption. Moreover, HfO{sub 2} films underwent structural changes during annealings, influencing D incorporation. The semiconductor substrate plays a key role in this process.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Investigation of negative bias temperature instability dependence on fin width of silicon-on-insulator-fin-based field effect transistors

The fin width dependence of negative bias temperature instability (NBTI) of double-gate, fin-based p-type Field Effect Transistors (FinFETs) fabricated on silicon-on-insulator (SOI) wafers was investigated. The NBTI degradation increased as the fin width narrowed. To investigate this phenomenon, simulations of pre-stress conditions were employed to determine any differences in gate oxide field, fin band bending, and electric field profile as a function of the fin width. The simulation results were similar at a given gate stress bias, regardless of the fin width, although the threshold voltage was found to increase with decreasing fin width. Thus, the NBTI fin width dependence could not be explained from the pre-stress conditions. Different physics-based degradation models were evaluated using specific fin-based device structures with different biasing schemes to ascertain an appropriate model that best explains the measured NBTI dependence. A plausible cause is an accumulation of electrons that tunnel from the gate during stress into the floating SOI fin body. As the fin narrows, the sidewall device channel moves in closer proximity to the stored electrons, thereby inducing more band bending at the fin/dielectric interface, resulting in a higher electric field and hole concentration in this region during stress, which leads to more degradation. The data obtained in this work provide direct experimental proof of the effect of electron accumulation on the threshold voltage stability in FinFETs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Band alignment of HfO{sub 2}/Al{sub 0.25}Ga{sub 0.75}N determined by x-ray photoelectron spectroscopy: Effect of SiH{sub 4} surface treatment

The band-alignment of atomic layer deposited (ALD)-HfO{sub 2}/Al{sub 0.25}Ga{sub 0.75}N was studied by high resolution x-ray photoelectron spectroscopy measurements for both the non-passivated and SiH{sub 4} passivated AlGaN surfaces. The valence band offset and the conduction band offset for the ALD-HfO{sub 2}/Al{sub 0.25}Ga{sub 0.75}N interface were found to be 0.43 eV and 1.47 eV, respectively, for the non-passivated sample, and 0.59 eV and 1.31 eV, respectively, for the SiH{sub 4}-passivated sample. The difference in the band alignment is dominated by the band bending or band shift in the AlGaN substrate as a result of the different interlayers formed by the two surface preparations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

A crystalline oxide passivation for Al{sub 2}O{sub 3}/AlGaN/GaN

In situ X-ray photoelectron spectroscopy and low energy electron diffraction are performed to study the formation of a crystalline oxide on the AlGaN surface. The oxidation of the AlGaN surface is prepared by annealing and remote N{sub 2} + O{sub 2} plasma pretreatments resulting in a stable crystalline oxide. The impact of the oxide on the interface state density is studied by capacitance voltage (C-V) measurements. It is found that a remote plasma exposure at 550 °C shows the smallest frequency dispersion. Crystalline oxide formation may provide a novel passivation method for high quality AlGaN/GaN devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Interfacial development of electrophoretically deposited graphene oxide films on Al alloys

Adhesion between film and substrate is critical for electronic device and coating applications. Interfacial development between electrophoretically deposited graphene oxide films on Al 1100 and Al 5052 alloys were investigated using FT-IR and XPS depth profiling techniques. Obtained results suggest metal ion permeation from the substrates into deposited graphene oxide films. The interface between the films and the substrates were primarily composed of Al-O-C bonds from oxygenated defects on graphene oxide plane rather than expected Al-C formation. Films heat treated at 150 °C had change in microstructure and peak shifts in XPS spectra suggesting change in chemical structure of bonds between the films and the substrates.

77 NANOSCIENCE AND NANOTECHNOLOGY↗