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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Characterization of Tunnel Oxides in TOPCon Solar Cells

The 1.12 nm thickness for the tunnel oxide layer is near the optimal range described by Choi et al. This thickness should be effective at enabling quantum tunneling; however, it is slightly lower than the reported optimal range which could negatively impact the passivation of the poly-Si interface. An appropriate balance between the two functions must be met to optimize efficiency. Follow up work could focus on testing the optimal range for tunnel oxide thickness in TOPCon solar cells, as well as improving the manufacturing process to produce better control of film thickness. This work could be extended into more advanced TOPCon solar cells including double or triple stack structures, as well as experimental pinhole designs.

SOLAR ENERGY↗
DOE OSTI2023

Self Assembled Monolayers for Passivated Contacts

Passivated contacts mitigate defects typically encountered due metallization of solar cells. We deposit amorphous silicon (a-Si:H) on an oxidized silicon wafer via PECVD and anneal at high temperature to crystallize into polysilicon passivated contact. One drawback is the absorption of the polysilicon between grid fingers, so removal of this material is desirable to maximize Jsc. Alternatively, interdigitated back contact cells rely on a gap between n- and p- fingers, which is commonly etched to ensure electronic isolation. We utilize a self assembled monolayer (SAM) using hexamethyldisilazane (HMDS) as a precursor to pattern and etch amorphous silicon (a-Si:H) and polysilicon without the need for photoresist. Ultraviolet light exposure oxidizes the HMDS by photocleaving the organic groups [1] of the SAM leaving a patterned SiO2. Directly soaking this in TMAH will eventually etch the SAM and the silicon, where the SiO2 serves as an etch mask. Inversely, a dilute HF dip selectively etches this SiO2 and the SAM remains. A subsequent soak in TMAH selectively etches the underlying silicon, where the SAM serves as an etch mask. Importantly, we find that the SAM can remain intact for metallization, where we measure 10 mO-cm2 specific contact resistivity on n-type polysilicon.

passivation↗
NASA NTRS2000

Electrolyte and Electrode Passivation for Thin Film Batteries

Passivation films for thin film batteries have been prepared and the conductivity and voltage stability window have been measured. Thin films of Li2CO3 have a large voltage stability window of 4.8V, which facilitates the use of this film as a passivation at both the lithium anode-electrolyte interface at high cathodic potentials.

passivation thin film batteries↗
DOE OSTI2022

Approaching the Radiative Efficiency Limit in Perovskite Solar Cells with Scalable Defect Passivation and Selective Contacts

This award aimed to enable perovskite solar cells to approach the radiative efficiency limit in scalable manufacturing environments by controlling recombination losses, especially surface recombination losses at electrodes and interfaces. The project combined organic molecular synthesis, perovskite film processing and characterization, and spectroscopic tool development for probing recombination centers. The project ultimately achieved record-low surface recombination velocity (SRV) in mixed cation methylammonium-free perovskite thin films, demonstrated photoluminescence as an effective process metrology tool to optimizing processing of device stacks, and showed that the aminopropyltrimethoxysilane (APTMS) is suitable for passivating the exposed perovskite interface in p-i-n stack devices. The project used combinations of phosphonic acids to modify the transparent conducting oxide and APTMS to passivate the perovskite/electron transport layer interface, thereby demonstrating reduction of SRVs in both partial and full device stacks. The project showed concomitant improvements in device performance, and demonstrated that APTMS passivation was compatible with large area coating of external stakeholder perovskite films using both scalable solution and vapor methods. Notably, the project also supplied surface passivating materials to a number of other US based and SETO-funded teams.

14 SOLAR ENERGY↗
DOE OSTI2023

Electrolyte Reactivity on the MgV 2 O 4 Cathode Surface

Predictive understanding of the solvation-dependent reactivity and molecular interaction of electrolyte ions and solvent molecules on reactive electrodes has been a major challenge but is essential for addressing instabilities and surface passivation that occur at electrode-electrolyte interface (EEI) of multivalent Mg batteries. In this work, the isolated intrinsic reactivities of prominent chemical species present in magnesium bis(trifluoromethanesulfonimide) (Mg(TFSI) 2 ) in diglyme (G2) electrolytes, including ionic (TFSI - , [Mg(TFSI)] + , [Mg(TFSI):G2] + , [Mg(TFSI):2G2] + ) as well as neutral molecules (G2) on magnesium vanadate cathode (MgV 2 O 4 ) surface has been studied using a combination of first-principles calculations and multimodal analysis of well-defined cathode electrolyte interphase (CEI) layers. Here, our calculations show that non-solvated [Mg(TFSI)] + is the strongest adsorbing species on the MgV 2 O 4 surface compared to all other ions while fully solvated [Mg(TFSI):2G2] + are least favorable to decomposition. The cleavage of C-S bonds in TFSI - to form CF 3 - is predicted to be most desired pathway for all ionic species, which is followed by the cleavage of C-O bonds of G2 to yield CH 3 + or OCH 3 - species. The strong stabilization and electron transfer between ionic electrolyte species and MgV 2 O 4 is found to significantly favor these decomposition reactions on the surface compared to intrinsic gas phase dissociation. Experimentally, we used state-of-the-art ion soft landing to selectively deposit mass-selected TFSI - , [Mg(TFSI):G2] + and [Mg(TFSI):2G2] + on MgV 2 O 4 thin film to form well-defined electrolyte-MgV 2 O 4 interface. Analysis of soft-landed interphase using X-ray photoelectron, X-ray absorption near edge structure, electron energy-loss spectroscopies as well as transmission electron microscopy confirmed the presence of decomposition species (e.g., MgFx, carbonates) formed in the interfacial region and the higher amount of MgFx with [Mg(TFSI):G2] + , which corroborates the theoretical observation. Overall, we established the mechanistic pathway for the electrolyte-induced formation of passivating fluorides on MgV 2 O 4 cathode facilitated by the surface adsorption and charge transfer, which provided essential knowledge for rational design of stable electrolytes for multivalent cathodes.

Cathode-electrolyte interphase formation↗
DOE OSTI2022

Surface fluctuating hydrodynamics methods for the drift-diffusion dynamics of particles and microstructures within curved fluid interfaces

Here we introduce fluctuating hydrodynamics approaches on surfaces for capturing the drift-diffusion dynamics of particles and microstructures immersed within curved fluid interfaces of spherical shape. We take into account the interfacial hydrodynamic coupling, traction coupling with the surrounding bulk fluid, and thermal fluctuations. For fluid-structure interactions, we introduce Immersed Boundary Methods (IBM) and related Stochastic Eulerian-Lagrangian Methods (SELM) for curved surfaces. We use these approaches to investigate the statistics of surface fluctuating hydrodynamics and microstructures. For velocity autocorrelations, we find characteristic power-law scalings $τ^{-1}, τ^{-2}$, and plateaus can emerge. This depends on the physical regime associated with the geometry, surface viscosity, and bulk viscosity. This differs from the characteristic $τ^{-3/2}$ scaling for bulk three dimensional fluids. We develop theory explaining these observed power-laws associated with time-scales for dissipation within the fluid interface and coupling to the surrounding fluid. We then use our introduced methods to investigate a few example systems and roles of hydrodynamic coupling and thermal fluctuations including for the kinetics of passive particles and active microswimmers in curved fluid interfaces.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Triplet Management at Ligand-Perovskite Interface to Enhanced Photovoltaics Performance

Aromatic organic molecules are widely used as passivators in perovskite solar cells (PSCs). Efforts have been devoted to improving the energy alignments, band edge states, and defect passivation functionalities. However, potential energy loss through triplet states in such conjugated molecules has not been investigated in the past. Here, we report the observation of charge transfer from FAPbI 3 to the triplet state of a pyrene (Pyr)-based cationic ligand. Such a potential loss channel can be suppressed via delicate triplet management in polycyclic aromatic compounds. Interestingly, a subtle structural modification from Pyr to the triphenylene (TP) core gave rise to shallower triplets that prohibit electron transfer from perovskites. This strategy has led to TP-passivated PSCs achieving an enhanced power conversion efficiency (PCE) of 24.69% from 23.10% in Pyr-passivated counterparts. Moreover, the devices retained above 80% initial PCE after 4000 h of light soaking, which likely benefited from the reduced triplet electron trapping at the ligand-perovskite interface.

14 SOLAR ENERGY↗
NASA NTRS1988

Low temperature storage container for transporting perishables to space station

This invention is directed to the long term storage of frozen and refrigerated food and biological samples by the space shuttle to the space station. A storage container is utilized which has a passive system so that fluid/thermal and electrical interfaces with the logistics module is not required. The container for storage comprises two units, each having an inner storage shell and an outer shell receiving the inner shell and spaced about it. The novelty appears to lie in the integration of thermally efficient cryogenic storage techniques with phase change materials, including the multilayer metalized surface thin plastic film insulation and the vacuum between the shells. Additionally the fiberglass constructed shells having fiberglass honeycomb portions, and the lining of the space between the shells with foil combine to form a storage container which may keep food and biological samples at very low temperatures for very long periods of time utilizing a passive system.

Dean, William G↗
DOE OSTI2024

Trap Passivation for Reducing On-Resistance and Saturation Voltage in Wafer-Bonded InGaAs-Channel/GaN-Drain Vertical FETs

High frequency and high power are the driving forces behind semiconductor transistor technology. However, conventional devices have the tradeoff of either being high speed or high breakdown—but not both. Wafer-bonded current aperture vertical electron transistors (BAVETs) help eliminate the tradeoff by combining a high-speed III-As channel to a high-breakdown III-N drift region. The device presented herein comprises of an InAlAs gate-barrier/InGaAs channel, wafer-bonded to an InGaN/GaN drift region, with the InGaAs/InGaN interface referred to as the wafer-bonded interface (WBI). The electronic behavior of WBIs is yet less known but necessary in realizing the potential of a BAVET. Herein, strong trap activity at the WBI is shown to be the cause of abnormally high saturation voltage ( V DS_SAT ) in BAVETs. The traps cause unintentional space charge (SC) region in the drain region of the device. This causes a drain resistance, a higher ON-resistance ( R ON ), and a higher V DS_SAT . Here, the challenge is overcome by hydrogen passivation of traps at WBI by using a p-doping for the InAlAs layer, which reduces the trap-charge concentration at the WBI. Consequently, the width of the SC region is reduced and a reduction in V DS_SAT is demonstrated, wherein it reduces from >12 to 5 V.

36 MATERIALS SCIENCE↗
NASA NTRS2016

RFI and Remote Sensing of the Earth from Space

Passive microwave remote sensing of the Earth from space provides information essential for understanding the Earth's environment and its evolution. Parameters such as soil moisture, sea surface temperature and salinity, and profiles of atmospheric temperature and humidity are measured at frequencies determined by the physics (e.g. sensitivity to changes in desired parameters) and by the availability of suitable spectrum free from interference. Interference from manmade sources (radio frequency interference) is an impediment that in many cases limits the potential for accurate measurements from space. A review is presented here of the frequencies employed in passive microwave remote sensing of the Earth from space and the associated experience with RFI.

RFI↗
NASA NTRS2012

SRMS Assisted Docking and Undocking for the Orbiter Repair Maneuver

As part of the Orbiter Repair Maneuver (ORM) planned for Return to Flight (RTF) operations, the Shuttle Remote Manipulator System (SRMS) must undock the Orbiter, maneuver it through a complex trajectory at extremely low rates, present it to an EVA crewman at the end of the Space Station Remote Manipulator System to perform the Thermal Protection System (TPS) repair, and then retrace back through the trajectory to dock the Orbiter with the Orbiter Docking System (ODS). The initial and final segments of this operation involve the interaction between the SRMS, ISS, Orbiter and ODS. Previously, a technique entitled "SRMS assisted docking" for installation of a payload to the ODS had been developed and was utilized for the Russian provided Docking Module on STS-74 during Shuttle-Mir missions and both the Node 1 and FGB elements on STS-88/Flight 2A. This procedure consisted of the SRMS grappling the respective payload, maneuvering it to a pre-install position inches above the ODS Androgynous Peripheral Attachment System (APAS) ring, commanding the SRMS into Test mode (which allows brakes-off motion of the joints), and then down-firing Primary Reaction Control System (PRCS) jets in order to effect a capture of the APAS latches. Once a successful capture had been achieved, then the AP AS was operated through its nominal retraction sequence to complete the mating sequence. While this technique can once again be used for the tail end docking portion of the ORM, the initial undocking of the orbiter and ISS vehicles with the assistance of the SRMS has yet to be attempted on orbit. The objective here is to determine the most efficient means to separate or extract the vehicles. Two techniques were analyzed in support of RTF: (1) the 'nominal' demating from the mated interface, and (2) the SRMS performing the operation (either in an active or passive fashion). In the first operation, the demating process would replicate standard undocking operations, with the exception that the SRMS is allowed to arrest the resulting motion. The second operation would be to extend the APAS ring to a ready to dock position, open the capture latches, and then detach the vehicles using the SRMS either actively or passively. In the active case, the APAS ring is extended and latched, and the SRMS is commanded to pull the two interfaces apart (assuming that the effective pull force of the SRMS can overcome the spec values of the combined latch resistance). In the passive case, the SRMS brakes are engaged and the AP AS mechanism is commanded to retract, pulling the two interfaces apart. Since the emphasis of both STS-74 and STS-88 had solely been on the installation operation, as opposed to the separation operation, two new models required development and incorporation within simulation tools designed to analyze those scenarios. These enhancements included: (1) a detailed demating dynamics model to characterize the pusher spring characteristics during undocking, and (2) contact and mechanical system modeling of the back side of the latches to represent unlatching dynamics. This paper first provides an overview of the Monte-Carlo screening analysis for the installation (both nominal and contingency), including the variation of separation distance, misalignment conditions, SRMS joint/brake parameter characteristics, and PRCS jet combinations and corresponding thrust durations. The resulting 'optimum' solution is presented based on trade studies between predicted capture success and integrated system loads. This paper then discusses the upgrades to the APAS math model associated with the new SRMS assisted undocking technique and reviews simulation results for various options investigated for either the active and passive separation of the ISS from the Orbiter.

Space Station Remote Manipulator System↗
DOE OSTI2020

Electrochemical behavior and separation of iodide in molten LiF-NaF-KF melt

This work studied the electrochemical behavior of iodide in molten LiF-NaF-KF mixture and the separation of iodide from the molten salt at 973 K using a graphite working electrode. The cyclic voltammetry (CV) and chronoamperometry (CA) measurements indicated an anodic passivation layer was formed on the graphite electrode in this melt and the layer blocked the charge transfer across the electrolyte/electrode interface. However, the added I- ions could pass through the passivation layer and were oxidized at the graphite electrode. The characterization of the obtained products proved that iodide ions was efficiently oxidized to I2 gas during electrolysis. Furthermore, the graphite anode showed excellent stability without any obvious change in dimensions after electrolysis, which showed the high current efficiency of I2 evolution reaction. Thus, the graphite electrode was possible to be served as an excellent anode to separate other anions (such as Br) from molten fluoride salts.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Blade Coating Inverted Perovskite Solar Cells with Vacuum-Assisted Nucleation Based on Bottom Quasi-2D Passivation

Metal halide perovskite solar cells (PSCs) attract an enormous attention because of their high power conversion efficiency (PCE) and low fabrication cost. However, their commercialization is limited by fabricating highly efficient large-area solar cells. Controlling the morphology and crystallization of perovskite for large-area fabrication is difficult but important. Here, in this work, a vacuum-assisted approach is developed to obtain mirror-like, pinhole-free, highly crystalline, and uniform blade-coated perovskite films, without the use of antisolvent and air knife. This method can be a universal approach for various perovskite compositions. Meanwhile, the phenethylammonium iodide passivation effect at the top and bottom interfaces of perovskite layer based on FTO/NiO x /perovskite/C 60 /BCP/Cu inverted p-i-n structure is systematically investigated. The optimized device fabricated by blade coating under an ambient environment exhibits the champion PCE of 20.7% and is among the top few records of blade coating inverted structure based on NiOx hole transport layer. The encapsulated device retains 97% of its maximum efficiency under open-circuit condition after 1000 h of photostability test in an ambient environment at room temperature with a relative humidity of 40–60%. Herein, low-cost, easy, and reproducible strategies to fabricate efficient and stable blade-coated PSCs are demonstrated.

14 SOLAR ENERGY↗
DOE OSTI2026

Buried Interfaces in Organic Photocathodes for H 2 Evolution: Fermi-Level Pinning and Recombination

Herein, we demonstrate how Fermi-level pinning at buried contacts impacts solar fuel generation in all-polymer photocathodes by systematically comparing the effects of work function, hydroxyl coverage, and hydrogen evolution using chemically modified indium tin oxide (ITO) supports. Photovoltages and net photocathode performance are improved when the ITO is passivated using phosphonic acids, independent of work function, suggesting that the passivation reduces Fermi-level pinning at the buried interface arising from blended heterojunction interactions with surface metal hydroxyls. Transient photovoltage decay reveals differences in recombination mechanisms, supported by light intensity-dependent measurements. Briefly, nonpassivated, hydrophilic contacts exhibit trap-assisted recombination, while passivated, hydrophobic contacts follow bimolecular recombination. We then investigate changes in electroactivity of hole-transfer processes as a function of scan rate and repetitive cycling using a diffusion-controlled molecular redox probe, analogous to a hole-only device achieved via the electrolyte. The nonpassivated buried contacts exhibit higher overpotentials for oxidation, indicative of hole injection/extraction barriers. We observe irreversible electron transfer via the hole-transport level of the blended heterojunction and a strong cycle dependence, consistent with changes in the hole trap state density. Passivation results in more reversible redox behaviors, consistent with more Ohmic-like contacts. Collectively, these results provide context toward the realization of durable organic photoelectrodes with optimized photovoltages and net solar-to-hydrogen conversion efficiencies via fundamental understanding of the rates of carrier generation, recombination, and transport in high-dielectric aqueous environments and opportunities to characterize buried interfaces under device-relevant electric fields.

buried interfaces↗
DOE OSTI2020

Resolving spatial and energetic distributions of trap states in metal halide perovskite solar cells

We report the profiling of spatial and energetic distributions of trap states in metal halide perovskite single-crystalline and polycrystalline solar cells. The trap densities in single crystals varied by five orders of magnitude, with a lowest value of 2 × 10 11 per cubic centimeter and most of the deep traps located at crystal surfaces. The charge trap densities of all depths of the interfaces of the polycrystalline films were one to two orders of magnitude greater than that of the film interior, and the trap density at the film interior was still two to three orders of magnitude greater than that in high-quality single crystals. Suprisingly, after surface passivation, most deep traps were detected near the interface of perovskites and hole transport layers, where a large density of nanocrystals were embedded, limiting the efficiency of solar cells.

14 SOLAR ENERGY↗
NASA NTRSDate not supplied

Coupled Reactor Multiphysics and Mass Scalability Assessment for Crewed Megawatt-Class NEP System Architectures

Nuclear Electric Propulsion (NEP) is an in-space propulsion technology capable of enabling opposition and conjunction class crewed Mars missions. NEP subsystems include the reactor for heat generation, a power conversion system (PCS), power management and distribution, electric propulsion system, and heat rejection system. Specific mass, or α (kg/kWe), is a key performance parameter (KPP) of the propulsion system which is directly scalable with the performance and mass predictions for each individual component. To inform technology maturation planning activities, full system and component level parametric modeling is ongoing to explore the design trade space and illustrate the effect of subsystem design choices on the system KPPs. In this study, scaling of high-assay, low-enriched uranium reactor designs is assessed through coupled reactor physics and thermal hydraulics analyses. Scaling analyses evaluate the impact of system performance parameters (power level, interface temperatures) on mass for direct gas cooled, pumped liquid metal, and passively-cooled heat pipe reactor concepts. Each concept requires specific geometries, fluids, and power conversion interface conditions (temperature, pressure, flow rate) to meet desired performance and mass. The reactor assembly includes the active core (fuel, moderator, cladding, working fluid), axial and radial neutron reflectors, control drums, structural support / pressure vessel, and external radiation shielding. Each of these components are parametrically sized based on performance parameters for a megawatt-class power cycle. Results of this scaling analysis increase NEP propulsion system modeling fidelity and ultimately aim to support concept down-selection along with related technology development planning. The reactor and shield α are a function of several PCS and heat rejection system design choices, and reactor scaling with these parameters must be considered to enable an informed decision on an optimal reactor geometry and working fluid combination.

Nuclear Electric Propulsion↗
DOE OSTI2023

Revealing atomic-to-nanoscale oxidation mechanisms of metallic materials

Oxidation and corrosion are the leading causes of degradation and failure of metallic materials. Future alloy development requires the incorporation of corrosion resistance into alloy design and processing, and this begins with attaining a fundamental insight into dynamic reaction mechanisms and kinetics between a metal and aggressive environments. With recent advances in environmental transmission electron microscopy, there have been increased efforts to apply this approach to atomically probe the microscopic mechanisms that govern the oxidation and corrosion behavior of metallic materials. Consequently, fundamental insights have been obtained in understanding the underlying processes of oxidation and passivation, including active sites, surface restructuring, oxide/metal interface dynamics, and microstructure and phase evolution. Additionally, we discuss on-going and future developments that are expected to significantly advance the field of high-temperature oxidation and corrosion.

25 ENERGY STORAGE↗
DOE OSTI2021

Al 2 O 3 Thin Films on Magnesium: Assessing the Impact of an Artificial Solid Electrolyte Interphase

Among the many emerging technologies under investigation as alternatives to the successful Lithium-ion battery, the magnesium battery is promising due to the wide availability of magnesium, its high volumetric capacity, and the possibility for safety improvements. One of the largest challenges facing rechargeable magnesium batteries is the formation of a passivation layer at the Mg metal anode interface when reactive species in the electrolyte are reduced at the electrode-electrolyte interface. To control the solid electrolyte interphase in Lithium batteries, protective layers called artificial solid electrolyte interphase (ASEI) layers have been successful in improving Li metal anode performance. The approach of protecting Mg metal anodes from electrolyte degradation has been demonstrated by fewer studies in the literature than Li systems. In this work, we discuss the properties of Al 2 O 3 thin films deposited using atomic layer deposition as an artificial solid electrolyte interphase at the Mg anode. Our results demonstrate that Al 2 O 3 does prevent electrolyte degradation due to the reductive nature of Mg. However, undesirable properties such as defects and layer breakdown lead to Mg growth that causes soft-shorting. The soft-shorting occurs with and without the protection layer, indicating the ALD layer does not prevent it and hinders Al 2 O 3 from being an ideal candidate for a protection layer. Crucial effects of this layer on Mg electrochemistry at the interface were observed, including growth of Mg deposits leading to soft-shorting of the cell whose morphology showed a dependence on the Al 2 O 3 layer. These results may provide guidelines for the future design and development of protective ASEI layers for Mg anodes.

25 ENERGY STORAGE↗