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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Ohmic contacts to Al-rich AlGaN heterostructures

Due to the ultra-wide bandgap of Al-rich AlGaN, up to 5.8 eV for the structures in this study, obtaining low resistance ohmic contacts is inherently difficult to achieve. A comparative study of three different fabrication schemes is presented for obtaining ohmic contacts to an Al-rich AlGaN channel. Schottky-like behavior was observed for several different planar metallization stacks (and anneal temperatures), in addition to a dry-etch recess metallization contact scheme on Al 0.85 Ga 0.15 N/Al 0.66 Ga 0.34 N. However, a dry etch recess followed by n + -GaN regrowth fabrication process is reported as a means to obtain lower contact resistivity ohmic contacts on a Al 0.85 Ga 0.15 N/Al 0.66 Ga 0.34 N heterostructure. In conclusion, specific contact resistivity of 5×10 -3 Ω cm 2 was achieved after annealing Ti/Al/Ni/Au metallization.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Nanopinhole-Enabled, Hole-Selective Poly-Si/SioxNy Passivating Contacts on Textured c-Si for Si Solar Cells

The next-generation silicon photovoltaics will be based on passivating electron- and hole-selective contacts with both very low interface recombination and contact resistivities. While the emerging mainstream TOPCon technology has developed excellent electron-selective poly-Si/tunneling SiOx contacts, hole-selective contacts, especially on textured surfaces, have remained a significant challenge. This contribution introduces novel high-performance hole selective poly-Si contacts on pyramid-textured Si, enabled by electrochemically produced hole transport nanopinholes in a 10 nm oxynitride passivating dielectric stack capped by p+ poly-Si. The highly passivating oxynitride layer is produced via atomic intermixing of O and N atoms in the initial SiOx/SiNy layer stack upon thermal annealing. Carrier transport is governed by nanopinhole density and size are tuned by Ag nanoparticle electrodeposition and surface attachment chemistries. This results in passivating hole contact resistivities in the m..omega..-cm2 range, while preserving interface recombination current prefactor around 5 fA/cm2.

14 SOLAR ENERGY↗
DOE OSTI2022

Elevated temperature contact creep and friction of nickel-based superalloys using machine learning assisted finite element analysis

Nickel-based superalloys with superior thermochemical, mechanical, and tribological properties are highly utilized for critical components in several high temperature applications such as gas turbines and nuclear reactors. Inconel 617, in particular, is considered as one of the main candidate superalloys for tribo-components in very-high-temperature gas-cooled nuclear reactors. Recent findings indicate that this alloy grows unique surface oxide especially in a high-temperature helium environment with distinctive wear, friction, and contact properties. Here, this study investigates the high temperature contact area evolution and frictional behavior of Inconel 617 using finite element simulation and provides predictive models for the contact and friction performance at different normal loads, dwell times, and temperatures. High temperature helium-aged Inconel 617 top surface properties (up to 600 °C) are utilized along with a single asperity-based deformable elastic-plastic contact model under combined normal and tangential loading. Machine learning is used to assist the finite element results and to predict friction coefficient as well as contact area evolution. While a small difference is observed in the instantaneous friction coefficient (no dwell time) for all temperatures, friction coefficient increases considerably with dwell time. This shows that the effect of contact creep for longer dwell times significantly dominants the effect of high temperature variation in basic mechanical parameters such as modulus and yield strength. It is found that increasing temperature and dwell times lead to the friction coefficient increase, yet the dominance of dwell time effects decreases at higher temperatures and loads. While the analysis is presented for Inconel 617, the methodology is easy to be generalized and can be applied to other HT alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Controlled activation of ZnTe:Cu contacted CdTe solar cells using rapid thermal processing

Back contacts can significantly limit CdTe solar cell performance, reducing both open circuit voltage (Voc) and fill factor (FF). Copper is an essential component of effective back contacts, but its presence in the CdTe absorber creates detrimental recombination centers. Rapid thermal processing (RTP) is demonstrated as a highly effective approach for reducing back contact barriers in CdTe solar cells contacted with ZnTe:Cu buffer layers, substantially improving both FF (473%) and V oc (4850 mV). Current density and quantum efficiency remain essentially unchanged, but a five-fold increase in minority carrier lifetime is observed which is attributed to passivation of recombination sites in the back contact region. Quantitative analysis of secondary ion mass spectrometry shows that the majority of Cu segregates to the Au metallization layer and that the ZnTe buffer appears to inhibit the Cu diffusion into CdTe. 3D imaging of the back contact region using atom probe tomography shows that optimized devices are characterized by preferential segregation of copper to both the Au|ZnTe and CdTe|ZnTe interfaces, perhaps in the form of Cu x Te. Finally, with its low thermal budget the RTP process has been successfully applied to multiple device architectures.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Low-resistance 2D/2D ohmic contacts: A universal approach to high-performance WSe 2 , MoS 2 , and MoSe 2 transistors

Here, we report a new strategy for fabricating 2D/2D low-resistance ohmic contacts for a variety of transition metal dichalcogenides (TMDs) using van der Waals assembly of substitutionally doped TMDs as drain/source contacts and TMDs with no intentional doping as channel materials. We demonstrate that few-layer WSe 2 field-effect transistors (FETs) with 2D/2D contacts exhibit low contact resistances of ~0.3 kΩ μm, high on/off ratios up to >10 9 , and high drive currents exceeding 320 μA μm –1 . These favorable characteristics are combined with a two-terminal field-effect hole mobility μ FE ≈ 2 × 10 2 cm 2 V –1 s –1 at room temperature, which increases to >2 × 10 3 cm 2 V –1 s –1 at cryogenic temperatures. We observe a similar performance also in MoS 2 and MoSe 2 FETs with 2D/2D drain and source contacts. The 2D/2D low-resistance ohmic contacts presented here represent a new device paradigm that overcomes a significant bottleneck in the performance of TMDs and a wide variety of other 2D materials as the channel materials in postsilicon electronics.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Computational Insights into Phase Equilibria Between Wide-Gap Semiconductors and Contact Materials

Novel wide-band-gap semiconductors are needed for next-generation power electronics, but there is a gap between a promising material and a functional device. Finding stable (metal) contacts is one of the major challenges that is currently dealt with mainly via trial and error. Herein, we computationally investigate the thermochemistry and phase coexistence at the junction between three wide-gap semiconductors, ..beta..-Ga2O3, GeO2, and GaN, and possible contact materials. The pool of possible contacts includes 47 elemental metals and a set of 4 common, n-type transparent conducting oxides (ZnO, TiO2, SnO2, and In2O3). We use first-principles thermodynamics to model the Gibbs free energies of chemical reactions as a function of gas pressure (pO2/pN2) and equilibrium temperature. We deduce whether a semiconductor/contact interface will be stable at relevant conditions or a chemical reaction between them is to be expected, possibly influencing the long-term reliability and performance of devices. We generally find that most elemental metals tend to oxidize or nitridize and form various interface oxide/nitride layers. Exceptions include select late- and post-transition metals and, in the case of GaN, also the alkali metals, which are predicted to exhibit stable coexistence, although in many cases at relatively low gas partial pressures. Similar is true for the transparent conducting oxides, for which, in most cases, we predict a preference toward forming ternary oxides when in contact with ..beta..-Ga2O3 and GeO2. The only exception is SnO2, which we find to form stable contacts with both oxides. Finally, we show how the same approach can be used to predict gas partial pressure vs temperature phase diagrams to help direct synthesis of ternary compounds. We believe these results provide a valuable guidance in selecting contact materials to wide-gap semiconductors and suitable growth conditions.

contact materials↗
DOE OSTI2019

Low Contact Barrier in 2H/1T' MoTe 2 In-Plane Heterostructure Synthesized by Chemical Vapor Deposition

Metal–semiconductor contact has been an important topic in the semiconductor industry because it influences device performance remarkably. Conventional metals have served as the major contact material in electronic and optoelectronic devices, but such a selection becomes increasingly inadequate for emerging novel materials such as two-dimensional (2D) materials. Deposited metals on semiconducting 2D channels usually form large resistance contacts due to the high Schottky barrier. A few approaches have been reported to reduce the contact resistance but they are not suitable for large-scale application or they cannot create a clean and sharp interface. Here, a chemical vapor deposition (CVD) technique is introduced to produce large-area semiconducting 2D material (2H MoTe 2 ) planarly contacted by its metallic phase (1T' MoTe 2 ). We demonstrate the phase-controllable synthesis and systematic characterization of large-area MoTe 2 films, including pure 2H phase or 1T' phase, and 2H/1T' in-plane heterostructure. Theoretical simulation reflects a lower Schottky barrier in 2H/1T' junction than in Ti/2H contact, which is confirmed by electrical measurement. This one-step CVD method to synthesize large-area, seamless-bonding 2D lateral metal–semiconductor junction can improve the performance of 2D electronic and optoelectronic devices, paving the way for large-scale 2D integrated circuits.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Patterned, Low-Temperature Growth of Transition Metal Dichalcogenides for Low Resistance Raised Contacts

Transition metal dichalcogenide (TMD) monolayers are promising channel materials for next-generation electronic devices. A challenge is the high contact resistance between monolayer TMDs and metal contacts, especially for holes. Here, in this regard, raised source/drain contacts are promising. However, the direct, patterned growth of raised contacts at CMOS-compatible temperatures remains largely unresolved. We present plasma-free selenization and sulfurization of metal oxides at substrate temperatures down to 400 °C, compatible with back-end-of-line thermal budgets. To achieve growth at such temperatures, gas-phase chalcogen precursors are first thermally activated at 950 °C. Films grown on single-crystal monolayer TMDs exhibit high crystal quality, as confirmed by transmission electron microscopy. Raised contacts on WSe 2 monolayers fabricated using this approach yield a low hole contact resistance of 0.3 kΩ·μm after chemical doping. This process is shown to be applicable to growing various TMDs, including WS 2 , MoSe 2 , MoS 2 , PtSe 2 , and NbS 2 .

contact engineering↗
DOE OSTI2014

Micro-contacting of single and periodically arrayed columnar silicon structures by focused ion beam techniques

Micron-sized, periodic crystalline Silicon columns on glass substrate were electrically contacted with a transparent conductive oxide front contact and a focused ion beam processed local back contact. Individual column contacts as well as arrays of >100 contacted columns were processed. Current-voltage characteristics of the devices were determined. By comparison with characteristics obtained from adapted device simulation, the absorber defect density was reconstructed. The contacting scheme allows the fabrication of testing devices in order to evaluate the electronic potential of promising semiconductor microstructures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Very low resistance alloyed Ni-based ohmic contacts to InP-capped and uncapped n{sup +}-In{sub 0.53} Ga{sub 0.47}As

Successful application of the silicide-like Ni{sub x}InGaAs phase for self-aligned source/drain contacts requires the formation of low-resistance ohmic contacts between the phase and underlying InGaAs. We report Ni-based contacts to InP-capped and uncapped n{sup +}- In{sub 0.53}Ga{sub 0.47}As (N{sub D} = 3 × 10{sup 19 }cm{sup −3}) with a specific contact resistance (ρ{sub c}) of 4.0 × 10{sup −8 }± 7 × 10{sup −9} Ω·cm{sup 2} and 4.6 × 10{sup −8 }± 9 × 10{sup −9} Ω·cm{sup 2}, respectively, after annealing at 350 °C for 60 s. With an ammonium sulfide pre-metallization surface treatment, ρ{sub c} is further reduced to 2.1 × 10{sup −8 }± 2 × 10{sup −9} Ω·cm{sup 2} and 1.8 × 10{sup −8 }± 1 × 10{sup −9} Ω·cm{sup 2} on epilayers with and without 10 nm InP caps, respectively. Transmission electron microscopy reveals that the ammonium sulfide surface treatment results in more complete elimination of the semiconductor's native oxide at the contact interface, which is responsible for a reduced contact resistance both before and after annealing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Contact-dependent performance variability of monolayer MoS{sub 2} field-effect transistors

Using self-consistent quantum transport simulations, we investigate the performance variability of monolayer molybdenum disulfide (MoS{sub 2}) field-effect transistors (FETs) with various contact properties. Varying the Schottky barrier in MoS{sub 2} FETs affects the output characteristics more significantly than the transfer characteristics. If doped contacts are realized, the performance variation due to non-ideal contacts becomes negligible; otherwise, channel doping can effectively suppress the performance variability in metal-contact devices. Our scaling study also reveals that for sub-10-nm channels, doped-contact devices can be more robust in terms of switching, while metal-contact MoS{sub 2} FETs can undergo the smaller penalty in output conductance.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Point-contacting by localised dielectric breakdown: Characterisation of a metallisation technique for the rear surface of a solar cell

Characterisation results are presented for ohmic contacts to passivated crystalline silicon, formed using the point-contacting by localised dielectric breakdown technique. Self aligned contact is made between the metal and heavily doped surface regions through an intrinsic a-Si:H passivation layer. Local doping is provided by a laser using a standard technique identical to that for selective emitter formation. Our results for gate metals of Au, Al, and Ti show that the technique does not rely on reactivity between the dielectric and the metal, excluding metal induced crystallisation from the contacting process. Diffusion of the gate metal into the dielectric is observed in transmission electron microscope images suggesting high temperatures are present locally during the breakdown process. The technique is equally applicable to contacting of n and p-type silicon, making it a potential alternative for ohmic contacting to silicon to passivated rear surfaces.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Ab initio simulations of metal contacts for graphene-based devices

The precise atomic structure of a metal contact significantly affects the performance of nanoscale electronic devices. We use an accurate, DFT-based non-equilibrium Green’s function method to evaluate various metal contacts with graphene or graphene nanoribbons. Furthermore, for surface metal contacts not chemically bound to graphene, Ti contacts have lower resistance than those of Au, Ca, Ir, Pt, and Sr. However, as an edge contact, Ti has larger resistance than Au. Bridging O atoms at Ti and Au edge contacts lowers the transmission by over 30%.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Contact Resistance of Carbon–Li x (Ni,Mn,Co)O 2 Interfaces

Abstract Electronic resistance in lithium‐ion battery positive electrodes is typically attributed to the bulk resistance of the active material and the network resistance of the carbon additive. Expected overpotentials from these bulk components are minimal relative to that from charge‐transfer resistance. However, literature reports show that cell overpotentials are often much more sensitive to conductive additives than the expected level from bulk or percolating‐network transport. This discrepancy motivated a detailed examination of the contact resistance between the active material and conductive additive. The contact and bulk resistances are simultaneously measured using dense bar samples of lithium‐layered oxides (Li x Ni 1 /3 Mn 1/3 Co 1/3 O 2 and Li x Ni 0.5 Mn 0.3 Co 0.2 O 2 ) in contact with carbon black. It is found that the contact resistance dominates the overall electronic resistance when the length scale is smaller than millimeters; after correcting for contact effects, bulk conductivity of layered oxides is determined to be orders‐of‐magnitude higher than previously reported. In porous electrodes, it is found from three‐electrode electrochemical impedance spectroscopy that the carbon content most heavily influences the low‐frequency regime (≈0.01 Hz), as opposed to the high frequency (>10 3 Hz) regime expected from electronic percolating properties. Constriction effects within the layered oxide are identified as the dominant mechanism for contact resistance and its implication is investigated for porous electrodes.

Kuo, Jimmy Jiahong↗
DOE OSTI2019

Introduction of a bounded penalty function in contact‐assisted simulations of protein structures to omit false restraints

Contact‐assisted simulations, the contacts being predicted or determined experimentally, have become very important in the determination of the structures of proteins and other biological macromolecules. In this work, the effect of contact‐distance restraints on the simulated structures was investigated with the use of multiplexed replica exchange simulations with the coarse‐grained UNRES force field. A modified bounded flat‐bottom restraint function that does not generate a gradient when a restraint cannot be satisfied was implemented. Calculations were run with (i) a set of four small proteins, with contact restraints derived from experimental structures, and (ii) selected CASP11 and CASP12 targets, with restraints as used at prediction time. The bounded penalty function largely omitted false contacts, which were usually inconsistent. It was found that at least 20% of correct contacts must be present in the restraint set to improve model quality with respect to unrestrained simulations. © 2019 Wiley Periodicals, Inc.

Lubecka, Emilia A.↗
DOE OSTI2017

Dynamic fracture behavior of single and contacting Poly(methyl methacrylate) particles

Fracture behaviors of single, two, and multiple contacting spherical Poly (methyl methacrylate) (PMMA) particles were recorded using high speed synchrotron X-ray phase contrast imaging. A miniaturized Kolsky bar setup was used to apply dynamic compressive loading on the PMMA particles. In both single and two particle experiments, cracking initiated near the center of the particles and propagated towards the contacts. The crack bifurcated near the contact points for single particle experiments, thus forming conical fragments. The crack bifurcation and subsequent conical fragment formation was observed only at the particle-particle contact for two particle experiments. The particles were observed to fracture in hemispherical fragments normal to the contact plane in the multiparticle experiments. The observed failure mechanisms strongly suggest that the maximum tensile stress near the center of the particle is the critical parameter governing fracture of the particles. Moreover, the compressive stress under the contact areas led to the bifurcation and subsequent conical fragment formation.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Site-specific regulation of oral mucosa-recruiting CD8{sup +} T cells in a mouse contact allergy model

Contact allergy is a T cell-mediated, delayed-type hypersensitivity generated by contact exposure of an allergen to the skin and mucosal surface. The clinical manifestations of allergic responses between the skin and oral mucosa vary and the differences in immunopathology have not been clarified. We generated hapten-induced contact hypersensitivity (CH) of the buccal mucosa (BM) in parallel studies with ear skin (ES) CH, and observed several characteristic findings of BM CH. The BM challenge induced more rapid and more severe inflammation than the ES challenge, with abundant granulocyte and CD8{sup +} T cell infiltration. However, these inflammatory responses diminished quickly. Recruiting CD8{sup +} T cells in the BM had higher ratios of CD62L{sup −}CD44{sup low-hi} memory-type cells, and showed impaired IFN-γ, greater PD-1, and comparable Ki-67 expression, suggesting that the recruiting-proliferating CD8{sup +} T cells were unable to differentiate into effector T cells and converted into exhausted T cells at the local site. This finding may explain the rapid recovery of the BM from severe inflammation. Preferentially greater expression of PD-1 ligand (B7-H1), was observed in the BM epithelium under the peak inflammation, and the absence of B7-H1 further accelerated CH responses, suggesting the occurrence of PD-1:B7-H1-mediated immune regulation at the local site. Our results may facilitate the understanding of the unique features of contact allergies in the oral mucosa, and guide the development of new strategies for control of contact allergy. - Highlights: • Contact allergy in the oral mucosa shows severe responses, but quick recovery. • Oral mucosa-infiltrating CD8{sup +} T cells have unique activatory and regulatory status. • PD-1:B7-H1-mediated pathway is involved in the site-specific regulation.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Topology optimization of multiple deformable bodies in contact with large deformations

Previous works in topology optimization of structures with contact boundary conditions have concentrated on the two-dimensional rigid obstacle problem. This is because the contact analysis of multiple three-dimensional deformable bodies with meshes that are non-matching across the contact interface requires computationally complex contact algorithms beyond the scope of previous optimization investigations. Here, our research is devoted to addressing topology design problems with multiple deformable three-dimensional components in contact using state-of-the-art contact algorithms.

42 ENGINEERING↗