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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2011

Comparison between chemical vapor deposited and physical vapor deposited WSi{sub 2} metal gate for InGaAs n-metal-oxide-semiconductor field-effect transistors

We compare chemical vapor deposition (CVD) and physical vapor deposition (PVD) WSi{sub 2} metal gate process for In{sub 0.53}Ga{sub 0.47}As n-metal-oxide-semiconductor field-effect transistors using 10 and 6.5 nm Al{sub 2}O{sub 3} as dielectric layer. The CVD-processed metal gate device with 6.5 nm Al{sub 2}O{sub 3} shows enhanced transistor performance such as drive current, maximum transconductance and maximum effective mobility. These values are relatively better than the PVD-processed counterpart device with improvement of 51.8%, 46.4%, and 47.8%, respectively. The improvement for the performance of the CVD-processed metal gate device is due to the fluorine passivation at the oxide/semiconductor interface and a nondestructive deposition process.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Use of Optical Microscopy to Examine Crystallite Nucleation and Growth in Thermally Annealed Plasma Enhanced Chemical Vapor Deposition and Hot Wire Chemical Vapor Deposition a-Si:H Films

We report a simple method to investigate crystallite nucleation and growth in stepwise, thermally annealed plasma enhanced chemical vapor deposition and hot wire chemical vapor deposition a-Si:H films. By confining film thicknesses to the range 500-4000 {angstrom}, optical microscopy in the reflection mode can be used to readily detect crystallites in the thermally annealed a-Si:H lattice. Measurements of the crystallite density versus annealing time for identically prepared films of different thickness show that the crystallite nucleation rate is smaller for thinner films, suggesting that crystallite nucleation is homogeneous, in agreement with previous results. A comparison of film nucleation rates with those obtained by other methods on identically prepared films shows excellent agreement, thus establishing the validity of the current technique. The potential effect of impurity (oxygen) incorporation during the stepwise annealing in air is shown not to affect crystallite nucleation and growth, in that SIMS oxygen profiles for stepwise versus continuous annealing show not only similar impurity profiles but also similar bulk impurity densities.

14 SOLAR ENERGY↗
DOE OSTI2015

Orientational anisotropy in simulated vapor-deposited molecular glasses

Enhanced kinetic stability of vapor-deposited glasses has been established for a variety of glass organic formers. Several recent reports indicate that vapor-deposited glasses can be orientationally anisotropic. In this work, we present results of extensive molecular simulations that mimic a number of features of the experimental vapor deposition process. The simulations are performed on a generic coarse-grained model and an all-atom representation of N,N′-bis(3-methylphenyl)-N,N′-diphenylbenzidine (TPD), a small organic molecule whose vapor-deposited glasses exhibit considerable orientational anisotropy. The coarse-grained model adopted here is found to reproduce several key aspects reported in experiments. In particular, the molecular orientation of vapor-deposited glasses is observed to depend on substrate temperature during deposition. For a fixed deposition rate, the molecular orientation in the glasses changes from isotropic, at the glass transition temperature, T{sub g}, to slightly normal to the substrate at temperatures just below T{sub g}. Well below T{sub g}, molecular orientation becomes predominantly parallel to the substrate. The all-atom model is used to confirm some of the equilibrium structural features of TPD interfaces that arise above the glass transition temperature. We discuss a mechanism based on distinct orientations observed at equilibrium near the surface of the film, which get trapped within the film during the non-equilibrium process of vapor deposition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Applications of atomic layer deposition and chemical vapor deposition for perovskite solar cells

Metal halide perovskite solar cells (PSCs) have rapidly evolved over the past decade to become a photovoltaic technology on the cusp of commercialization. In the process, numerous fabrication strategies have been explored with the goal of simultaneously optimizing for device efficiency, stability, and scalability. Atomic layer deposition (ALD) and chemical vapor deposition (CVD) have proven to be effective tools for the fabrication of various components of PSCs. This review article examines the application of ALD and CVD for the deposition and modification of charge transport layers, passivation layers, absorber materials, encapsulants, and electrodes. It outlines the use of these vapor deposition techniques in state-of-the-art, multi-junction solar cell devices, and also contains a discussion of the stability of metal halide perovskite materials under ALD and CVD conditions based on in situ characterization reported in literature. Finally, this article concludes with insights into future ALD and CVD research directions that could be undertaken to further aid the deployment of PSCs in emerging solar photovoltaic markets.

14 SOLAR ENERGY↗
DOE OSTI2018

Modeling physical vapor deposition of energetic materials

Morphology and microstructure of organic explosive films formed using physical vapor deposition (PVD) processes strongly depends on local surface temperature during deposition. Currently, there is no accurate means of quantifying the local surface temperature during PVD processes in the deposition chambers. This study focuses on using a multiphysics computational fluid dynamics tool, STARCCM+, to simulate pentaerythritol tetranitrate (PETN) deposition. The PETN vapor and solid phase were simulated using the volume of fluid method and its deposition in the vacuum chamber on spinning silicon wafers was modeled. The model also included the spinning copper cooling block where the wafers are placed along with the chiller operating with forced convection refrigerant. Implicit time-dependent simulations in two- and three-dimensional were performed to derive insights in the governing physics for PETN thin film formation. PETN is deposited at the rate of 14 nm/s at 142.9 °C on a wafer with an initial temperature of 22 °C. The deposition of PETN on the wafers was calculated at an assumed heat transfer coefficient (HTC) of 400 W/m 2 K. This HTC proved to be the most sensitive parameter in determining the local surface temperature during deposition. Previous experimental work found noticeable microstructural changes with 0.5 mm fused silica wafers in place of silicon during the PETN deposition. This work showed that fused silica slows initial wafer cool down and results in ~10 °C difference for the surface temperature at 500 μm PETN film thickness. It was also found that the deposition surface temperature is insensitive to the cooling power of the copper block due to the copper block's very large heat capacity and thermal conductivity relative to the heat input from the PVD process. Future work should incorporate the addition of local stress during PETN deposition. Lastly, based on simulation results, it is also recommended to investigate the impact of wafer surface energy on the PETN microstructure and morphology formation.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Growth of graphene underlayers by chemical vapor deposition

We present a simple and very convincing approach to visualizing that subsequent layers of graphene grow between the existing monolayer graphene and the copper catalyst in chemical vapor deposition (CVD). Graphene samples were grown by CVD and then transferred onto glass substrates by the bubbling method in two ways, either direct-transfer (DT) to yield poly (methyl methacrylate) (PMMA)/graphene/glass or (2) inverted transfer (IT) to yield graphene/PMMA/glass. Field emission scanning electron microscopy (FE-SEM) and atomic force microscopy (AFM) were used to reveal surface features for both the DT and IT samples. The results from FE-SEM and AFM topographic analyses of the surfaces revealed the underlayer growth of subsequent layers. The subsequent layers in the IT samples are visualized as 3D structures, where the smaller graphene layers lie above the larger layers stacked in a concentric manner. The results support the formation of the so-called “inverted wedding cake” stacking in multilayer graphene growth.

36 MATERIALS SCIENCE↗
DOE OSTI2024

High Density Two-Component Glasses of Organic Semiconductors Prepared by Physical Vapor Deposition

Physical Vapor Deposition (PVD) is widely utilized for the production of organic semiconductor devices due to its ability to form thin layers with exceptional properties. Although the layers in the device usually consist of two or more components, there is limited understanding about the fundamental characteristics of such multi-component vapor-deposited glasses. Here, spectroscopic ellipsometry was employed to characterize the densities, thermal stabilities and optical properties of co-vapor deposited NPD and TPD glasses across the entire range of composition. We find that co-deposited NPD and TPD form high density glasses with enhanced thermal stability. The dependences of density and stability upon substrate temperature are correlated, and the birefringence of the co-deposited glasses is determined by the reduced substrate temperature of mixtures. Additionally, we observe that the transformation of a highly stable and dense two-component glass into its supercooled liquid initiates from the free surface and propagates into the bulk at constant velocity, like single component PVD glasses. As a result, all these features are consistent with the surface equilibration mechanism.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Thermal stability of vapor-deposited stable glasses of an organic semiconductor

Vapor-deposited organic glasses can show enhanced kinetic stability relative to liquid-cooled glasses. When such stable glasses of model glassformers are annealed above the glass transition temperature T{sub g}, they lose their thermal stability and transform into the supercooled liquid via constant velocity propagating fronts. In this work, we show that vapor-deposited glasses of an organic semiconductor, N,N′-bis(3-methylphenyl)-N,N′-diphenylbenzidine (TPD), also transform via propagating fronts. Using spectroscopic ellipsometry and a new high-throughput annealing protocol, we measure transformation front velocities for TPD glasses prepared with substrate temperatures (T{sub Substrate}) from 0.63 to 0.96 T{sub g}, at many different annealing temperatures. We observe that the front velocity varies by over an order of magnitude with T{sub Substrate}, while the activation energy remains constant. Using dielectric spectroscopy, we measure the structural relaxation time of supercooled TPD. We find that the mobility of the liquid and the structure of the glass are independent factors in controlling the thermal stability of TPD films. In comparison to model glassformers, the transformation fronts of TPD have similar velocities and a similar dependence on T{sub Substrate}, suggesting universal behavior. These results may aid in designing active layers in organic electronic devices with improved thermal stability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Diamond synthesis at atmospheric pressure by microwave capillary plasma chemical vapor deposition

Polycrystalline diamond has been synthesized on silicon substrates at atmospheric pressure, using a microwave capillary plasma chemical vapor deposition technique. The CH{sub 4}/Ar plasma was generated inside of quartz capillary tubes using 2.45 GHz microwave excitation without adding H{sub 2} into the deposition gas chemistry. Electronically excited species of CN, C{sub 2}, Ar, N{sub 2}, CH, H{sub β}, and H{sub α} were observed in the emission spectra. Raman measurements of deposited material indicate the formation of well-crystallized diamond, as evidenced by the sharp T{sub 2g} phonon at 1333 cm{sup −1} peak relative to the Raman features of graphitic carbon. Field emission scanning electron microscopy images reveal that, depending on the growth conditions, the carbon microstructures of grown films exhibit “coral” and “cauliflower-like” morphologies or well-facetted diamond crystals with grain sizes ranging from 100 nm to 10 μm.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Materials and Electrical Characterization of Physical Vapor Deposited LaxLu1-xO3 Thin Films on 300 mm Silicon

La{sub x}Lu{sub 1-x}O{sub 3} thin films were deposited on 300 mm silicon wafers by physical vapor deposition and fabricated into field-effect transistors using a gate-first process flow. The films were characterized using transmission electron microscopy, Rutherford backscattering spectrometry, and synchrotron x-ray diffraction. The results show the films remain amorphous even at temperatures of 1000 C. The dielectric properties of La{sub x}Lu{sub 1-x}O{sub 3} (0.125 {<=} x {<=} 0.875) thin films were evaluated as a function of film composition. The amorphous La{sub x}Lu{sub 1-x}O{sub 3} thin films have a dielectric constant (K) of 23 across the composition range. The inversion thickness (T{sub inv}) of the La{sub x}Lu{sub 1-x}O{sub 3} thin films was scaled to <1.0 nm.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Optical emission diagnostics of plasmas in chemical vapor deposition of single-crystal diamond

A key aspect of single crystal diamond growth via microwave plasma chemical vapor deposition is in-process control of the local plasma–substrate environment, that is, plasma gas phase concentrations of activated species at the plasma boundary layer near the substrate surface. Emission spectra of the plasma relative to the diamond substrate inside the microwave plasma reactor chamber have been analyzed via optical emission spectroscopy. The spectra of radical species such as CH, C{sub 2}, and H (Balmer series) important for diamond growth were identified and analyzed. The emission intensities of these electronically excited species were found to be more dependent on operating pressure than on microwave power. Plasma gas temperatures were calculated from measurements of the C{sub 2} Swan band (d{sup 3}Π → a{sup 3}Π transition) system. The plasma gas temperature ranges from 2800 to 3400 K depending on the spatial location of the plasma ball, microwave power and operating pressure. Addition of Ar into CH{sub 4}+H{sub 2} plasma input gas mixture has little influence on the Hα, Hβ, and Hγ intensities and single-crystal diamond growth rates.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Atmospheric-Pressure Chemical Vapor Deposition of Iron Pyrite Thin Films

Iron pyrite (cubic FeS{sub 2}) is a promising candidate absorber material for earth-abundant thin-film solar cells. In this report, single-phase, large-grain, and uniform polycrystalline pyrite thin films are fabricated on glass and molybdenum-coated glass substrates by atmospheric-pressure chemical vapor deposition (AP-CVD) using the reaction of iron(III) acetylacetonate and tert-butyl disulfide in argon at 300 C, followed by sulfur annealing at 500--550 C to convert marcasite impurities to pyrite. The pyrite-marcasite phase composition depends strongly on the concentration of sodium in the growth substrate and the sulfur partial pressure during annealing. Phase and elemental composition of the films are characterized by X-ray diffraction, Raman spectroscopy, Auger electron spectroscopy, secondary ion mass spectrometry, Rutherford backscattering spectrometry, and X-ray photoelectron spectroscopy. The in-plane electrical properties are surprisingly insensitive to phase and elemental impurities, with all films showing p-type, thermally activated transport with a small activation energy ({approx}30 meV), a room- temperature resistivity of {approx}1 {Omega} cm, and low mobility. These ubiquitous electrical properties may result from robust surface effects. These CVD pyrite thin films are well suited to fundamental electrical studies and the fabrication of pyrite photovoltaic device stacks.

14 SOLAR ENERGY↗
DOE OSTI2016

Vapor deposition of molybdenum oxide using bis(ethylbenzene) molybdenum and water

Three molybdenum precursors—bis(acetylacetonate) dioxomolybdenum, molybdenum isopropoxide, and bis(ethylbenzene) molybdenum—were tested for molybdenum oxide vapor deposition. Quartz crystal microbalance studies were performed to monitor growth. Molybdenum isopropoxide and bis(ethylbenzene) molybdenum achieved linear growth rates 0.01 and 0.08 Å/cycle, respectively, using atomic layer deposition techniques. Negligible MoO{sub x} growth was observed on alumina powder using molybdenum isopropoxide, as determined by inductively coupled plasma optical emission spectroscopy. Bis(ethylbenzene) molybdenum achieved loadings of 0.5, 1.1, and 1.9 Mo/nm{sup 2} on alumina powder after one, two, and five cycles, respectively, using atomic layer deposition techniques. The growth window for bis(ethylbenzene) molybdenum is 135–150 °C. An alternative pulsing strategy was also developed for bis(ethylbenzene) molybdenum that results in higher growth rates in less time compared to atomic layer deposition techniques. The outlined process serves as a methodology for depositing molybdenum oxide for catalytic applications. All as-deposited materials undergo further calcination prior to characterization and testing.

36 MATERIALS SCIENCE↗