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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 1,117 records · Page 62
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Electrochemical Reactivity and Passivation of Silicon Thin-Film Electrodes in Organic Carbonate Electrolytes

This work focuses on the mechanisms of interfacial processes at the surface of amorphous silicon thin-film electrodes in organic carbonate electrolytes to unveil the origins of the inherent nonpassivating behavior of silicon anodes in Li-ion batteries. Attenuated total reflection Fourier-transform infrared spectroscopy, X-ray absorption spectroscopy, and infrared near-field scanning optical microscopy were used to investigate the formation, evolution, and chemical composition of the surface layer formed on Si upon cycling. Herein, we found that the chemical composition and thickness of the solid/electrolyte interphase (SEI) layer continuously change during the charging/discharging cycles. This SEI layer “breathing” effect is directly related to the formation of lithium ethylene dicarbonate (LiEDC) and LiPF6 salt decomposition products during silicon lithiation and their subsequent disappearance upon delithiation. Furthermore, the detected appearance and disappearance of LiEDC and LiPF6 decomposition compounds in the SEI layer are directly linked with the observed interfacial instability and poor passivating behavior of the silicon anode.

25 ENERGY STORAGE↗
DOE OSTI2026

Self-Healing Lithium Dendrites through Spontaneous Passivating Layer Formation for Stable Solid-State Lithium–Metal Batteries

All-solid-state lithium–metal batteries have attracted significant attention, owing to their high energy density and superior safety. However, lithium–metal penetration through the solid electrolyte, leading to short-circuiting, remains a critical failure mode that demands comprehensive mitigation strategies. Most existing strategies are effective only prior to the initiation of lithium-dendrite formation and fail once dendrites begin to propagate through the electrolyte. In this study, we propose a self-healing mechanism in which the penetrated lithium reacts with a self-healing agent to form a passivating layer along the particle boundaries. Lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) was incorporated into a Li 6 PS 5 Cl solid electrolyte as the self-healing agent to suppress lithium-dendrite propagation even after dendrite formation initiated under high current densities. The self-healing induced by LiTFSI was verified through comprehensive experimental analyses and was further demonstrated in a full-cell configuration. Moreover, LiTFSI incorporation plays an important role in increasing the critical current density by reducing the overall electronic conductivity of the solid electrolyte and facilitating the formation of a robust LiF-containing solid-electrolyte interphase.

25 ENERGY STORAGE↗
DOE OSTI2014

Reaction kinetics during the thermal activation of the silicon surface passivation with atomic layer deposited Al{sub 2}O{sub 3}

The excellent surface passivation of crystalline silicon provided by Al{sub 2}O{sub 3} requires always an activation by a thermal post-deposition treatment. In this work, we present an indirect study of the reaction kinetics during such thermal activation treatments for Al{sub 2}O{sub 3} synthesized by atomic layer deposition. The study was performed for Al{sub 2}O{sub 3} deposited at varying temperatures, which results in different micro-structures of the films and, in particular, different hydrogen concentrations. The effective carrier lifetime was measured sequentially as a function of the annealing time and temperature. From these data, the reaction rate R{sub act} and the activation energy E{sub A} were extracted. The results revealed a rather constant E{sub A} in the range of 1.4 to 1.5 eV, independent of the deposition temperature. The reaction rate, however, was found to increase with decreasing deposition temperature, which correlates with an increasing amount of hydrogen being incorporated in the Al{sub 2}O{sub 3} films. This is a strong indication for an interface hydrogenation that takes place during the thermal activation, which is limited by the amount of hydrogen provided by the Al{sub 2}O{sub 3} layer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Enhancing controllability and stability of bottom-gated graphene thin-film transistors by passivation with methylamine

This paper is intended to aid to bridge the gap between chemistry and electronic engineering. In this work, the fabrication of chemical vapour deposited graphene field-effect transistors employing silicon-nitride (Si{sub 3}N{sub 4}) gate dielectric is presented, showing originally p-type channel conduction due to ambient impurities yielding uncontrollable behaviour. Vacuum annealing has been performed to balance off hole and electron conduction in the channel, leading to the observation of the Dirac point and therefore improving controllability. Non-covalent functionalisation by methylamine has been performed for passivation and stability reasons yielding electron mobility of 4800 cm{sup 2}/V s and hole mobility of 3800 cm{sup 2}/V s as well as stabilised controllable behaviour of a bottom-gated transistor. The introduction of interface charge following the non-covalent functionalisation as well as the charge balance have been discussed and analysed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Surface donor states distribution post SiN passivation of AlGaN/GaN heterostructures

In this paper, we present a physics based analytical model to describe the effect of SiN passivation on two-dimensional electron gas density and surface barrier height in AlGaN/GaN heterostructures. The model is based on an extraction technique to calculate surface donor density and surface donor level at the SiN/AlGaN interface. The model is in good agreement with the experimental results and promises to become a useful tool in advanced design and characterization of GaN based heterostructures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Characterization of CZTSSe photovoltaic device with an atomic layer-deposited passivation layer

We describe a CZTSSe (Cu{sub 2}ZnSn(S{sub 1−x},Se{sub x}){sub 4}) photovoltaic (PV) device with an ALD (atomic layer deposition) coated buffer dielectric layer for CZTSSe surface passivation. An ALD buffer layer, such as TiO{sub 2}, can be applied in order to reduce the interface recombination and improve the device's open-circuit voltage. Detailed characterization data including current-voltage, admittance spectroscopy, and capacitance profiling are presented in order to compare the performance of PV devices with and without the ALD layer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Thermal stability and in situ SiN passivation of InAlN/GaN high electron mobility heterostructures

We investigate the thermal stability of nearly lattice-matched InAlN layers under metal organic vapor phase epitaxy conditions for temperatures >800 °C and show that they are not fully stable. In particular, InAlN top layers undergo degradation during high temperature annealing due to a surface related process, which causes the loss of crystal quality. This strongly impacts the transport properties of InAlN/GaN HEMT heterostructures; in particular, the mobility is significantly reduced. However, we demonstrate that high thermal stability can be achieved by capping with a GaN layer as thin as 0.5 nm. Those findings enabled us to realize in situ passivated HEMT heterostructures with state of the art transport properties.

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 OSTI2014

Air-stable short-wave infrared PbS colloidal quantum dot photoconductors passivated with Al{sub 2}O{sub 3} atomic layer deposition

A PbS colloidal quantum dot photoconductor with Al{sub 2}O{sub 3} atomic layer deposition (ALD) passivation for air-stable operation is presented. Two different types of inorganic ligands for the quantum dots, S{sup 2−} and OH{sup −}, are investigated. PbS/S{sup 2−} photoconductors with a cut-off wavelength up to 2.4 μm are obtained, and a responsivity up to 50 A/W at 1550 nm is reported. The corresponding specific detectivity is ∼3.4 × 10{sup 8} Jones at 230 K. The 3-dB bandwidth of the PbS/S{sup 2−} and PbS/OH{sup −} photodetectors is 40 Hz and 11 Hz, respectively.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Passivation effects in B doped self-assembled Si nanocrystals

Doping of semiconductor nanocrystals has enabled their widespread technological application in optoelectronics and micro/nano-electronics. In this work, boron-doped self-assembled silicon nanocrystal samples have been grown and characterised using Electron Spin Resonance and photoluminescence spectroscopy. The passivation effects of boron on the interface dangling bonds have been investigated. Addition of boron dopants is found to compensate the active dangling bonds at the interface, and this is confirmed by an increase in photoluminescence intensity. Further addition of dopants is found to reduce the photoluminescence intensity by decreasing the minority carrier lifetime as a result of the increased number of non-radiative processes.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Defect state passivation at III-V oxide interfaces for complementary metal–oxide–semiconductor devices

The paper describes the reasons for the greater difficulty in the passivation of interface defects of III–V semiconductors like GaAs. These include the more complex reconstructions of the starting surface which already possess defect configurations, the possibility of injecting As antisites into the substrate which give rise to gap states, and the need to avoid As-As bonds and As dangling bonds which give rise to gap states. The nature of likely defect configurations in terms of their electronic structure is described. The benefits of diffusion barriers and surface nitridation are discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Metal insulator semiconductor solar cell devices based on a Cu{sub 2}O substrate utilizing h-BN as an insulating and passivating layer

We demonstrate cuprous oxide (Cu{sub 2}O) based metal insulator semiconductor Schottky (MIS-Schottky) solar cells with efficiency exceeding 3%. A unique direct growth technique is employed in the fabrication, and hexagonal boron nitride (h-BN) serves simultaneously as a passivation and insulation layer on the active Cu{sub 2}O layer. The devices are the most efficient of any Cu{sub 2}O based MIS-Schottky solar cells reported to date.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Improved performance in GaInNAs solar cells by hydrogen passivation

The effect of UV-activated hydrogenation on the performance of GaInNAs solar cells is presented. A proof-of-principle investigation was performed on non-optimum GaInNAs cells, which allowed a clearer investigation of the role of passivation on the intrinsic nitrogen-related defects in these materials. Upon optimized hydrogenation of GaInNAs, a significant reduction in the presence of defect and impurity based luminescence is observed as compared to that of unpassivated reference material. This improvement in the optical properties is directly transferred to an improved performance in solar cell operation, with a more than two-fold improvement in the external quantum efficiency and short circuit current density upon hydrogenation. Temperature dependent photovoltaic measurements indicate a strong contribution of carrier localization and detrapping processes, with non-radiative processes dominating in the reference materials, and evidence for additional strong radiative losses in the hydrogenated solar cells.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

On the role of spatial position of bridged oxygen atoms as surface passivants on the ground-state gap and photo-absorption spectrum of silicon nano-crystals

Silicon nano-crystals (NCs) are potential candidates for enhancing and tuning optical properties of silicon for optoelectronic and photo-voltaic applications. Due to the high surface-to-volume ratio, however, optical properties of NC result from the interplay of quantum confinement and surface effects. In this work, we show that both the spatial position of surface terminants and their relative positions have strong effects on NC properties as well. This is accomplished by investigating the ground-state HOMO-LUMO band-gap, the photo-absorption spectra, and the localization and overlap of HOMO and LUMO orbital densities for prototype ∼1.2 nm Si{sub 32–x}H{sub 42–2x}O{sub x} hydrogenated silicon NC with bridged oxygen atoms as surface terminations. It is demonstrated that the surface passivation geometry significantly alters the localization center and thus the overlap of frontier molecular orbitals, which correspondingly modifies the electronic and optical properties of NC.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Nitride passivation of the interface between high-k dielectrics and SiGe

In-situ direct ammonia (NH{sub 3}) plasma nitridation has been used to passivate the Al{sub 2}O{sub 3}/SiGe interfaces with Si nitride and oxynitride. X-ray photoelectron spectroscopy of the buried Al{sub 2}O{sub 3}/SiGe interface shows that NH{sub 3} plasma pre-treatment should be performed at high temperatures (300 °C) to fully prevent Ge nitride and oxynitride formation at the interface and Ge out-diffusion into the oxide. C-V and I-V spectroscopy results show a lower density of interface traps and smaller gate leakage for samples with plasma nitridation at 300 °C.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Precise parameterization of the recombination velocity at passivated phosphorus doped surfaces

We investigate the surface recombination velocity S{sub p} at the silicon-dielectric interface of phosphorus-doped surfaces for two industrially relevant passivation schemes for crystalline silicon solar cells. A broad range of surface dopant concentrations together with a high accuracy of evaluating the latter is achieved by incremental back-etching of the surface. The analysis of lifetime measurements and the simulation of the surface recombination consistently apply a set of well accepted models, namely, the Auger recombination by Richter et al. [Phys. Rev. B 86, 1–14 (2012)], the carrier mobility by Klaassen [Solid-State Electron. 35, 953–959 (1992); 35, 961–967 (1992)], the intrinsic carrier concentration for undoped silicon by Altermatt et al. [J. Appl. Phys. 93, 1598–1604 (2003)], and the band-gap narrowing by Schenk [J. Appl. Phys. 84, 3684–3695 (1998)]. The results show an increased S{sub p} at textured in respect to planar surfaces. The obtained parameterizations are applicable in modern simulation tools such as EDNA [K. R. McIntosh and P. P. Altermatt, in Proceedings of the 35th IEEE Photovoltaic Specialists Conference, Honolulu, Hawaii, USA (2010), pp. 1–6], PC1Dmod [Haug et al., Sol. Energy Mater. Sol. Cells 131, 30–36 (2014)], and Sentaurus Device [Synopsys, Sentaurus TCAD, Zürich, Switzerland] as well as in the analytical solution under the assumption of local charge neutrality by Cuevas et al. [IEEE Trans. Electron Devices 40, 1181–1183 (1993)].

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

High temperature and low pressure chemical vapor deposition of silicon nitride on AlGaN: Band offsets and passivation studies

In this work, we employed X-ray photoelectron spectroscopy to determine the band offsets and interface Fermi level at the heterojunction formed by stoichiometric silicon nitride deposited on Al{sub x}Ga{sub 1-x}N (of varying Al composition “x”) via low pressure chemical vapor deposition. Silicon nitride is found to form a type II staggered band alignment with AlGaN for all Al compositions (0 ≤ x ≤ 1) and present an electron barrier into AlGaN even at higher Al compositions, where E{sub g}(AlGaN) > E{sub g}(Si{sub 3}N{sub 4}). Further, no band bending is observed in AlGaN for x ≤ 0.6 and a reduced band bending (by ∼1 eV in comparison to that at free surface) is observed for x > 0.6. The Fermi level in silicon nitride is found to be at 3 eV with respect to its valence band, which is likely due to silicon (≡Si{sup 0/−1}) dangling bonds. The presence of band bending for x > 0.6 is seen as a likely consequence of Fermi level alignment at Si{sub 3}N{sub 4}/AlGaN hetero-interface and not due to interface states. Photoelectron spectroscopy results are corroborated by current-voltage-temperature and capacitance-voltage measurements. A shift in the interface Fermi level (before band bending at equilibrium) from the conduction band in Si{sub 3}N{sub 4}/n-GaN to the valence band in Si{sub 3}N{sub 4}/p-GaN is observed, which strongly indicates a reduction in mid-gap interface states. Hence, stoichiometric silicon nitride is found to be a feasible passivation and dielectric insulation material for AlGaN at any composition.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Synthesis, characterization and properties of L-arginine-passivated silver nanocolloids

We investigate the effect of L-arginine-surface passivation on localised surface plasmon resonance (LSPR), size and stability of colloidal Silver Nanoparticles (AgNPs) synthesized by chemical reduction method. The surface Plasmon resonance absorption peak of AgNPs shows blue shift with the increase in L-arginine concentration. Transmission electron microscopy (TEM) analysis confirmed that the average size of AgNPs reduces from 10 nm to 6 nm as the concentration of L-Arginine increased from 1 to 5 mM. The X-ray diffraction study (XRD) confirmed the formation face-centred cubic (fcc) structured AgNPs. FT-IR studies revealed strong bonding between L-arginine functional groups and AgNPs.

77 NANOSCIENCE AND NANOTECHNOLOGY↗