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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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

MgZnO High Voltage Thin Film Transistors on Glass for Inverters in Building Integrated Photovoltaics

Building integrated photovoltaics (BIPV) have attracted considerable interests because of its aesthetically attractive appearance and overall low cost. In BIPV, system integration on a glass substrate like windows is essential to cover a large area of a building with low cost. But, the conventional high voltage devices in inverters have to be built on the specially selected single crystal substrates, limiting its application for large area electronic systems, such as the BIPV. We demonstrate a Magnesium Zinc Oxide (MZO) based high voltage thin film transistor (HVTFT) built on a transparent glass substrate. We designed devices with unique ring-type structures and use modulated Mg doping in the channel - gate dielectric interface, resulting in a blocking voltage of over 600 V. In addition to BIPV, the MZO HVTFT based inverter technology also creates new opportunities for emerging self-powered smart glass.

14 SOLAR ENERGY↗
DOE OSTI2016

Synthesis of BiFeO{sub 3} thin films on single-terminated Nb : SrTiO{sub 3} (111) substrates by intermittent microwave assisted hydrothermal method

We report on a simple and fast procedure to create arrays of atomically flat terraces on single crystal SrTiO{sub 3} (111) substrates and the deposition of ferroelectric BiFeO{sub 3} thin films on such single-terminated surfaces. A microwave-assisted hydrothermal method in deionized water and ammonia solution selectively removes either (SrO{sub 3}){sup 4−} or Ti{sup 4+} layers to ensure the same chemical termination on all terraces. Measured step heights of 0.225 nm (d{sub 111}) and uniform contrast in the phase image of the terraces confirm the single termination in pure and Nb doped SrTiO{sub 3} single crystal substrates. Multiferroic BiFeO{sub 3} thin films were then deposited by the same microwave assisted hydrothermal process on Nb : SrTiO{sub 3} (111) substrates. Bi(NO{sub 3}){sub 3} and Fe(NO{sub 3}){sub 3} along with KOH served as the precursors solution. Ferroelectric behavior of the BiFeO{sub 3} films on Nb : SrTiO{sub 3} (100) substrates was verified by piezoresponse force microscopy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1989

Tailorable infrared sensing device with strain layer superlattice structure

An infrared photodetector is formed of a heavily doped p-type Ge(x)Si(1-x)/Si superlattice in which x is pre-established during manufacture in the range 0 to 100 percent. A custom tailored photodetector that can differentiate among close wavelengths in the range of 2.7 to 50 microns is fabricated by appropriate selection of the alloy constituency value, x, to establish a specific wavelength at which photodetection cut-off will occur.

Cheng, Li-Jen↗
DOE OSTI2018

Facile synthesis and excellent catalytic performance of nitrogen-doped porous carbons derived from banana peel towards oxygen reduction reaction

Highlights: • This work demonstrates that rubbish can convert into valuable products and addresses the disposal issue of waste biomass. • The typical composite exhibits considerable catalytic activity which is comparable to Pt/C. • This method was accessible and an effective strategy for the large scale application of FCs. - Abstract: In this paper, nitrogen-doped porous carbons have been synthesized by using a facile low-cost and accessible approach. The banana peels which regarded as discarded rubbish were reused and acted as carbon source. The typical sample possesses plenty of interconnected pores, and its BET surface area is as large as 1442 m{sup 2} g{sup −1}. Electrochemical measurements indicates that the typical samples exhibits considerable catalyticactivity and high four-electron route selectivity, which is comparable or even superior to Pt/C in alkaline and acid mediums. Excitingly, the typical sample can even endure methanol-poisoning effect,and long term electrolytic corrosion with only 9.41% current density attenuation after 5000 consecutive cycles, which exceeds the performance of Pt/C in alkaline mediums. What’s more, this work demonstrates a successful example for turning discarded rubbish into valuable functional products as well as addresses the disposal issue of waste biomass and contributes to environment cleaning.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Magneto‐Photoluminescence Based on Two‐Photon Excitation in Lanthanide‐Doped Up‐Conversion Crystal Particles

Experimental studies on magneto‐photoluminescence based on two‐photon excitation in up‐conversion Y 2 O 2 S:Er, Yb crystal particles are reported. It is found that the up‐conversion photoluminescence generated by two‐photon excitation exhibits magnetic field effects at room temperature, leading to a two‐photon excitation‐induced magneto‐photoluminescence, when the two‐photon excitation exceeds the critical intensity. By considering the spin selection rule in electronic transitions, it is proposed that spin‐antiparallel and spin‐parallel transition dipoles with spin mixing are accountable for the observed magneto‐photoluminescence. Specifically, the two‐photon excitation generates spin‐antiparallel electric dipoles between 4 S 3/2 – 4 I 15/2 in Er 3+ ions. The antiparallel spins are conserved by exchange interaction within dipoles. When the photoexcitation exceeds the critical intensity, the Coulomb screening can decrease the exchange interaction. Consequently, the spin–orbital coupling can partially convert the antiparallel dipoles into parallel dipoles, generating a spin mixing. Eventually, the populations between antiparallel and parallel dipoles reach an equilibrium established by the competition between exchange interaction and spin–orbital coupling. Applying a magnetic field can break the equilibrium by disturbing spin mixing through introducing spin precessions, changing the spin populations on antiparallel and parallel dipoles and leading to the magneto‐photoluminescence. Therefore, spin‐dependent transition dipoles present a convenient mechanism to realize magneto‐photoluminescence in multiphoton up‐conversion crystal particles.

Xu, Hengxing↗
DOE OSTI2015

Facile preparation of nitrogen-doped porous carbon from waste tobacco by a simple pre-treatment process and their application in electrochemical capacitor and CO{sub 2} capture

Highlights: • A pre-treatment process is used to prepared N-doped carbon from waste biomass. • Waste tobaccos, which are limited for the disposal, are used as the raw materials. • The product shows a specific surface area and nitrogen content. • Its electrochemical performance is better than commercial activated carbon. • Its CO{sub 2} sorption performance is also better than commercial activated carbon. - Abstract: Preparing nitrogen-doped porous carbons directly from waste biomass has received considerable interest for the purpose of realizing the atomic economy. In this study, N-doped porous carbons have been successfully prepared from waste tobaccos (WT) by a simple pre-treatment process. The sample calcinated at 700 °C (WT-700) shows a micro/meso-porous structures with a BET surface area of 1104 m{sup 2} g{sup −1} and a nitrogen content of ca. 19.08 wt.% (EDS). Performance studies demonstrate that WT-700 displays 170 F g{sup −1} electrocapacitivity at a current density of 0.5 A g{sup −1} (in 6 M KOH), and a CO{sub 2} capacity of 3.6 mmol g{sup −1} at 0 °C and 1 bar, and a selectivity of ca. 32 for CO{sub 2} over N{sub 2} at 25 °C. Our studies indicate that it is feasible to prepare N-enriched porous carbons from waste natural crops by a pre-treatment process for potential industrial application.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Modeling assisted synthesis of Zr-doped Li 3-x In 1-x Zr x Cl 6 with ultrahigh ionic conductivity for lithium-ion batteries

All-solid-state lithium-ion batteries (ASSLBs) are an important milestone for the future of energy storage because of their capability of impressive energy density and outstanding safety. However, oxide and sulfide solid-state electrolytes (SSEs) suffer from either low ionic conductivity or poor chemical stability. In contrast, halide-based SSEs, are promising as candidate materials owing to high conductivity, good stability, and broad cathode compatibility. Though element doping of the SSEs is an effective and common approach to further improve their electrochemical properties, dopant exploration and optimization through solely experimental trials are both costly and time-consuming. For this aspect, computational simulations for dopant element and concentration screening are adopted in this research and zirconium is selected as a suitable dopant for Li 3 InCl 6 . Further, the synthesized Li 2.75 In 0.75 Zr 0.25 Cl 6 exhibited Li ionic conductivity of 5.82 x 10 -3 Scm -1 at room temperature, which is the highest among reported halide SSEs. The ASSLB formed with Li 2 CoO 2 -Li 2.75 In 0.75 Zr 0.25 Cl 6 -Li/In delivers a high initial capacity of 129.3 mAh∙g -1 . Conclusively, this work provides an effective approach which combines computational modeling and experimental verification for the development of halide SSEs with improved stability and conductivity. The successful design approach and compelling results provide further possibilities and capabilities in future SSE research.

25 ENERGY STORAGE↗
DOE OSTI2022

Restored Passivation after Complete Removal of Front Poly-Si Between the Grid in Poly-Si/SiO2 Front/Back Cells

This work explores the use of wet chemical etching to completely remove the front poly-Si layer between grid lines of a front/back poly-Si/SiO2 passivated contact device. The purpose of the work is to provide excellent passivation under the metal grid, but to also maximize Jsc by eliminating optical absorption in the front poly-Si. We show that after a high temperature anneal to distribute carriers in the poly-Si/SiO2/c-Si interface all of the poly-Si can be removed selectively with TMAH, using the SiO2 as an etch-stop layer. The etched surface can be repassivated back to its original level with the addition of a SiNx/Al2O3 stack grown on the preserved tunnelling oxide layer followed by a short forming gas anneal. Using symmetric 100 - 200 nm intrinsically doped poly-Si/SiO2 on textured n-type wafer templates we show absolute device efficiency enhancement from 15% to 21% by increasing the Jsc by 12 mA/cm2 after removing the front poly-Si and repassivating while effectively preserving the Voc, and FF of the device. IQE values are similar to PERC devices in the short wavelength range.

etching↗
DOE OSTI2018

Modulation of oxygen vacancies assisted ferroelectric and photovoltaic properties of (Nd, V) co-doped BiFeO 3 thin films

We are reporting on the improved ferroelectric and photovoltaic properties of (Nd3+, V5+) co-doped (Bi0.95Nd0.05)(Fe-1 V-x(x))O-3 (BNFVO) (x = 0.01, 0.03) thin films grown by PLD. BNFVO thin films showed reduced leakage current, lower optical bandgap, and improved ferroelectricity compared to BFO films, which can be explained by valance change and extinguishing oxygen vacancies due to the doping effect. Piezoresponse force microscopy measurements showed an improved domain back switching in doped thin films indicating that the suppression of oxygen vacancies offset the effect of polarization flipping caused by doping. Further, we found a relatively stable and enhanced photovoltaic effect in BNFVO films with an order of magnitude higher photocurrent and almost doubled photovoltage in comparison to BFO films, which can be explained by less recombination between hopping electrons and oxygen vacancies. Our results demonstrate the significance of dopant selection to suppress the oxygen vacancies for improved ferroelectric and photovoltaic properties of BFO films.

Agarwal, Radhe (ORCID:0000000289449423)↗
DOE OSTI2014

Passivated Tunneling Contacts to N-Type Wafer Silicon and Their Implementation into High Performance Solar Cells: Preprint

We present a case that passivated contacts based on a thin tunneling oxide layer, combined with a transport layer with properly selected work function and band offsets, can lead to high efficiency c-Si solar cells. Passivated contacts contribute to cell efficiency as well as design flexibility, process robustness, and a simplified process flow. Material choices for the transport layer are examined, including transparent n-type oxides and n+-doped poly-Si. SiO2/n+-poly-Si full-area, induced-junction back surface field contacts to n-FZ and n-Cz Si are incorporated into high efficiency cells with deep, passivated boron emitters.

14 SOLAR ENERGY↗
DOE OSTI2018

Mobility of the Two-Dimensional Electron Gas in DA-pHEMT Heterostructures with Various δ–n-Layer Profile Widths

The effect of the silicon-atom distribution profile in donor δ-layers of AlGaAs/InGaAs/AlGaAs heterostructures with donor–acceptor doping on the mobility of the two-dimensional electron gas is studied. The parameters of the δ-layer profiles are determined using the normal approximation of the spatial distributions of silicon atoms, measured by secondary-ion mass spectroscopy. It is shown that the standard deviation σ of the δ-layer profile can be reduced from 3.4 to 2.5 nm by the proper selection of growth conditions. Measurements of the magnetic-field dependences of the Hall effect and conductivity show that such a decrease in σ allowed an increase in the mobility of the two-dimensional electron gas in heterostructures by 4000 cm{sup 2}/(V s) at 77 K and 600 cm{sup 2}/(V s) at 300 K. The mobility calculation taking into account filling of the first two size-quantization subbands shows that an increase in the mobility is well explained by a reduction in the Coulomb scattering at ionized donors due to an increase in the effective thickness of the spacer layer with decreasing σ of the δ-layer profile.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Synthesis, characterization and catalytic activity of indium substituted nanocrystalline Mobil Five (MFI) zeolite

Highlights: • In situ modification of the MFI zeolite by incorporation of indium. • The samples were characterized by XRD, FTIR, TGA, UV–vis (DRS), SAA, EDX and SEM. • The incorporation of indium was confirmed by XRD, FT-IR, UV–vis (DRS), EDX and TGA. • Hydroxylation of phenol reaction was studied on the synthesized catalysts. - Abstract: A series of indium doped Mobil Five (MFI) zeolite were synthesized hydrothermally with silicon to aluminium and indium molar ratio of 100 and with aluminium to indium molar ratios of 1:1, 2:1 and 3:1. The MFI zeolite phase was identified by XRD and FT-IR analysis. In XRD analysis the prominent peaks were observed at 2θ values of around 6.5° and 23° with a few additional shoulder peaks in case of all the indium incorporated samples suggesting formation of pure phase of the MFI zeolite. All the samples under the present investigation were found to exhibit high crystallinity (∼92%). The crystallite sizes of the samples were found to vary from about 49 to 55 nm. IR results confirmed the formation of MFI zeolite in all cases showing distinct absorbance bands near 1080, 790, 540, 450 and 990 cm{sup −1}. TG analysis of In-MFI zeolites showed mass losses in three different steps which are attributed to the loss due to adsorbed water molecules and the two types TPA{sup +} cations. Further, the UV–vis (DRS) studies reflected the position of the indium metal in the zeolite framework. Surface area analysis of the synthesized samples was carried out to characterize the synthesized samples The analysis showed that the specific surface area ranged from ∼357 to ∼361 m{sup 2} g{sup −1} and the pore volume of the synthesized samples ranged from 0.177 to 0.182 cm{sup 3} g{sup −1}. The scanning electron microscopy studies showed the structure of the samples to be rectangular and twinned rectangular shaped. The EDX analysis was carried out for confirmation of Si, Al and In in zeolite frame work. The catalytic activities of the synthesized samples were investigated with respect to hydroxylation of phenol, in which catechol and hydroquinone were found to be the major products. It is observed that under all reaction conditions catechol selectivity was higher than the hydroquinone selectivity. In-MFI zeolites were successfully synthesized and were used as an effective catalyst for the hydroxylation of phenol to synthesize catechol and hydroquinone as the major product.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Nanoscale Junction Formation by Gas-Phase Monolayer Doping

A major challenge in transistor technology scaling is the formation of controlled ultrashallow junctions with nanometer-scale thickness and high spatial uniformity. Monolayer doping (MLD) is an efficient method to form such nanoscale junctions, where the self-limiting nature of semiconductor surfaces is utilized to form adsorbed monolayers of dopant-containing molecules followed by rapid thermal annealing (RTA) to diffuse the dopants to a desired depth. Unlike ion implantation, the process does not induce crystal damage, thus making it highly attractive for nanoscale transistor processing. To date, reported MLD processes have relied on solution processing for monolayer formation. Gas-phase processing, however, benefits from higher intra- and interwafer uniformity and conformal coverage of 3D structures and is more desirable for manufacturing. In this regard, we report a new approach for MLD in silicon and germanium using gas-phase monolayer formation. We call this technology gas-phase monolayer doping (GP-MLD). This method relies on sequential pulse-purge cycles of gas-phase dopant-containing molecules to form a boron- or phosphorus-containing monolayer on a target semiconductor surface. Here, we show the feasibility of our approach through the formation of ultrashallow B- and P-doped junctions on Si and Ge surfaces. The mechanism of adsorption is characterized using Fourier transform infrared spectroscopy and X-ray photoelectron spectroscopy. Sub-5 nm junction depths with high dopant dose are obtained as characterized by secondary ion mass spectrometry and sheet resistance measurements. Additionally, we demonstrate that area selectivity can be achieved via lithographic patterning of the monolayer dopants before the diffusion step. The results demonstrate the versatility of the GP-MLD approach for formation of controlled and ultrashallow junctions.

36 MATERIALS SCIENCE↗
NASA NTRS1987

Tailorable infrared sensing device with strain layer superlattice structure

An infrared photodetector is formed of a heavily doped p-type Ge sub x Si sub 1-x/Si superlattice in which x is pre-established during manufacture in the range 0 to 100 percent. A custom-tailored photodetector that can differentiate among close wavelengths in the range of 2.7 to 50 microns is fabricated by appropriate selection of the alloy constituency value, x, to establish a specific wavelength at which photodetection cutoff will occur.

Cheng, Li-Jen↗
DOE OSTI2015

The importance of the transmission flux in evaluating the preheat effect in x-ray driven ablation

In x-ray driven ablation, the preheat effect is caused by the high energy x-rays that pass through the ablator. Thus, the transmission flux can be used to characterize preheat effect in a certain degree. With the radiation temperature being 200 eV, the transmission flux and preheat temperature of pure polymer (CH) have been studied by using the one-dimensional multi-group radiation hydrodynamic code MULTI-1D. By studying the spectrum of the transmitted x-rays, it is found that the energy of the transmitted x-rays is in the range of 2–5 keV for pure CH ablator. This is of importance for selecting a dopant for CH ablator. We also calculated both the preheat temperature of CH near the surface of thick target (47.66 μm) and the transmission flux of a thinner target (38.66 μm). It is found that the more transmission flux leads to the higher preheat temperature. Preheat effect of graded Si-doped CH targets with different doped concentrations has also been studied. The results are consistent with this phenomenon. By analyzing the relationship between the transmission flux and the preheat temperature, we have presented a novel method to evaluate preheat effect in x-ray driven ablation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Calculations of non-adiabatic couplings within equation-of-motion coupled-cluster framework: Theory, implementation, and validation against multi-reference methods

In this work, we report an implementation of non-adiabatic coupling (NAC) forces within the equation-of-motion coupled-cluster with single and double excitations (EOM-CCSD) framework via the summed-state approach. Using illustrative examples, we compare NAC forces computed with EOM-CCSD and multi-reference (MR) wave functions (for selected cases, we also consider configuration interaction singles). In addition to the magnitude of the NAC vectors, we analyze their direction, which is important for the calculations of the rate of non-adiabatic transitions. Our benchmark set comprises three doublet radical-cations (hexatriene, cyclohexadiene, and uracil), neutral uracil, and sodium-doped ammonia clusters. When the characters of the states agree among different methods, we observe good agreement between the respective NAC vectors, both in the Franck-Condon region and away. In the cases of large discrepancies between the methods, the disagreement can be attributed to the difference in the states’ character, which, in some cases, is very sensitive to electron correlation, both within single-reference and multi-reference frameworks. Finally, the numeric results confirm that the accuracy of NAC vectors depends critically on the quality of the underlying wave functions. Within their domain of applicability, EOM-CC methods provide a viable alternative to MR approaches.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

New horizons in thermoelectric materials: Correlated electrons, organic transport, machine learning, and more

Thermoelectrics represent a unique opportunity in energy to directly convert thermal energy or secondary waste heat into a primary resource. The development of thermoelectric materials has improved over the decades in leaps, rather than by increments-each leap forward has recapitulated the science of its time: from the crystal growth of semiconductors, to controlled doping, to nanostructuring, and to 2D confinement. Each of those leaps forward was, arguably, more a result of materials science than physics. Thermoelectrics is now ripe for another leap forward, and many probable advances rely on new physics outside of the standard band transport model of thermoelectrics. This perspective will cover a limited selection of how thermoelectrics can benefit from new discoveries in physics: wave effects in phonon transport, correlated electron physics, and unconventional transport in organic materials. We also highlight recent developments in thermoelectrics discovery aided by machine learning that may be needed to realize some of these new concepts practically. Looking ahead, developing new thermoelectric physics will also have a concomitant domino effect on adjacent fields, furthering the understanding of nonequilibrium thermal and electronic transport in novel materials.

36 MATERIALS SCIENCE↗