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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Effects of rapid thermal annealing on the electrical properties of the AlGaN/AlN/GaN heterostructure field-effect transistors with Ti/Al/Ni/Au gate electrodes

In this study, we investigated the electrical properties of the AlGaN/AlN/GaN heterostructure field-effect transistors (HFETs) with Ti/Al/Ni/Au gate electrodes using the measured capacitance-voltage, current-voltage characteristics, and micro-Raman spectroscopy. We found that the uneven distribution of the strain caused by the Schottky metals was a major factor that generates the polarization Coulomb field scattering in AlGaN/AlN/GaN HFETs, and after appropriate rapid thermal annealing (RTA) processes, the polarization Coulomb field scattering was greatly weakened and the two-dimensional electron gas electron mobility was improved. We also found that the Schottky barrier height and the DC characteristics of the devices became better after appropriate RTA. Of course, the electrical performances mentioned above became deteriorated after excessive annealing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Enhanced spectroscopic gas sensors using in-situ grown carbon nanotubes

In this letter, we present a fully complementary-metal-oxide-semiconductor (CMOS) compatible microelectromechanical system thermopile infrared (IR) detector employing vertically aligned multi-walled carbon nanotubes (CNT) as an advanced nano-engineered radiation absorbing material. The detector was fabricated using a commercial silicon-on-insulator (SOI) process with tungsten metallization, comprising a silicon thermopile and a tungsten resistive micro-heater, both embedded within a dielectric membrane formed by a deep-reactive ion etch following CMOS processing. In-situ CNT growth on the device was achieved by direct thermal chemical vapour deposition using the integrated micro-heater as a micro-reactor. The growth of the CNT absorption layer was verified through scanning electron microscopy, transmission electron microscopy, and Raman spectroscopy. The functional effects of the nanostructured ad-layer were assessed by comparing CNT-coated thermopiles to uncoated thermopiles. Fourier transform IR spectroscopy showed that the radiation absorbing properties of the CNT adlayer significantly enhanced the absorptivity, compared with the uncoated thermopile, across the IR spectrum (3 μm–15.5 μm). This led to a four-fold amplification of the detected infrared signal (4.26 μm) in a CO{sub 2} non-dispersive-IR gas sensor system. The presence of the CNT layer was shown not to degrade the robustness of the uncoated devices, whilst the 50% modulation depth of the detector was only marginally reduced by 1.5 Hz. Moreover, we find that the 50% normalized absorption angular profile is subsequently more collimated by 8°. Our results demonstrate the viability of a CNT-based SOI CMOS IR sensor for low cost air quality monitoring.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Structural and optical characterizations of Cu2SnS3 (CTS) nanoparticles synthesized by one-step green hydrothermal route

Highlights: • Pure quasi-stoichiometric CTS nanoparticles obtained by green hydrothermal route. • Cubic structure of CTS nanoparticles without secondary phases was acheived. • A formation mechanism of the CTS nanoparticles is proposed. • CTS has a band gap of Eg = 1.4 eV, which is optimal for photovoltaïc absorber. - Abstract: In this study, nanoparticles of Cu{sub 2}SnS{sub 3} (CTS) have been synthesized by a simple one-step hydrothermal route without annealing. Metal chlorides and sodium sulphide precursors were dissolved in green solvent (water) and maintained at 230 °C for 24 h in a laboratory scale autoclave. Structural, morphological and optical characterization of synthesized CTS nanoparticles has been performed by Energy Dispersive Spectrometry (EDS), X-Ray Diffraction (XRD), Raman Spectroscopy, Field Emission Scanning Electron Microscopy (FESEM), Transmission Electron Microscopy (TEM) and UV–vis-NIR Spectroscopy. The results appear to confirm the formation of pure and quasi-stoichiometric cubic CTS nanoparticles. No secondary phases have been detected. The average size of the synthesized nanoparticles is estimated to be about 30 nm. From the absorption measurements, the optical band gap energy of the CTS nanoparticles was estimated to be 1.4 eV. This is very close to the optimal value required for an absorber material in photovoltaic (PV) solar energy conversion. In order to improve the understanding of the formation mechanism of CTS nanoparticles, the precipitate recovered prior to the hydrothermal reaction was analysed by EDS and XRD. The obtained results suggest that the formation of CTS nanoparticles takes place in two stages. Firstly, it is initiated from the formation of precipitates of Cu{sub 2}S, CuS and SnS binary compounds in the starting precursors solution prior to the hydrothermal reaction and thereafter it is completed under hydrothermal conditions. This study shows the feasibility of synthesizing CTS nanoparticles with abundant elements using an environmentally-friendly and low cost process.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Composition-dependent structural and Raman spectroscopic studies on Y{sub 1-x}Ho{sub x}CrO{sub 3} (0≤x≤0.1)

In this paper we report the synthesis and structural characterization of polycrystalline holmium doped YCrO{sub 3} samples prepared by solid state reaction method. X-ray diffraction studies confirm the formation of single phase pure materials. Increasing Holmium substitution in Y{sub 1-x}Ho{sub x}CrO{sub 3} (0≤x≤0.1) allows a quasi-continuous tuning of the lattice in this multiferroic chromite without any magnetic interference effects of rare-earth ions. The composition dependent Raman scattering studies at room temperature reveal decreasing Raman mode frequencies with increasing holmium content consistent with the X-ray data. Decreasing phonon frequency shifts with increasing holmium content occurs, depending on the average rare-earth ion radius determined by the concentration of Y{sup +3} and Ho{sup +3}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Phase Transitions in Tetramethylammonium Hexachlorometalate Compounds (TMA) 2 MCl 6 (M = U, Np, Pt, Sn, Hf, Zr)

A study of the phase transitions occurring in tetramethylammonium hexachlorometalate compounds with M = U IV , Np IV , Zr IV , Sn IV , Hf IV and Pt IV were performed using single-crystal X-ray diffraction across the temperature range 120 - 400K. When the crystals were cooled, movement of the octahedral [MCl 6 ] 2- anions induces a phase transition from Fm3m to Fd3c with a doubling of the unit cell. For the actinide compounds, no correlation between the f-electron configuration and the transition temperature was observed, instead, a correlation between the transition temperatures and both the [MCl 6 ] 2- anion and the TMA cation size is highlighted. Two phase transitions were observed and characterized. The first phase transition occurs with the ordering of the TMA cation and the second from a rotation of the [MCl 6 ] 2- octahedra. A third phase transition was observed at lower temperatures and was ascribed to a tetragonal distortion of the [MCl 6 ] 2- anions. Synthesis and study of their deuterated compounds did not show a significant isotope effect. As a result, Raman spectra performed on the protonated and deuterated compounds indicate only weak hydrogen bonding interactions between the TMA cations and the [MCl 6 ] 2- octahedra.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Plasmonic Hybrid Biocomposite as an Effective Substrate for Detection of Biomolecules by Surface-Enhanced Raman Spectroscopy

The enhancement of the Raman light scattering signal from the surface of the porous hybrid biocomposites based on polyhydroxybutyrate (PHB), calcium carbonate (CaCO{sub 3}), and nanoplasmonic Ag particles is investigated. Based on PHB, fibrous scaffolds are obtained by the electrospinning technique. The fibrous scaffolds have been covered by CaCO{sub 3} and Ag nanoparticles by means of mineralization in salt solutions and Ag reduction reaction. Successful formation of the CaCO{sub 3} and Ag nanoparticles on the scaffold surface has been confirmed by the data of scanning electron microscopy, x-ray diffraction analysis, and infrared spectroscopy. Surface-enhanced Raman spectroscopy (SERS) of the obtained sample surface has demonstrated a significant enhancement of the Rhodamine 6G signal (E{sub f} > 10{sup 5}) in comparison with the reference sample where the analyte concentration and the laser power were 100 times higher. Thus, the present research has confirmed prospects for the application of biocomposites based on polyhydroxybutyrate for detection and investigation of biomolecules by the SERS method.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Aligned Carbon Nanotube Array Functionalization for Enhanced Atomic Layer Deposition of Platinum Electrocatalysts

Uniform metal deposition onto high surface area supports is a key challenge of developing successful efficient catalyst materials. Atomic layer deposition (ALD) circumvents permeation difficulties, but relies on gas-surface reactions to initiate growth. Our work demonstrates that modified surfaces within vertically aligned carbon nanotube (CNT) arrays, from plasma and molecular precursor treatments, can lead to improved catalyst deposition. Gas phase functionalization influences the number of ALD nucleation sites and the onset of ALD growth and, in turn, affects the uniformity of the coating along the length of the CNTs within the aligned arrays. The induced chemical changes for each functionalization route are identified by X-ray photoelectron and Raman spectroscopies. The most effective functionalization routes increase the prevalence of oxygen moieties at defect sites on the carbon surfaces. The striking effects of the functionalization are demonstrated with ALD Pt growth as a function of surface treatment and ALD cycles examined by electron microscopy of the arrays and the individual CNTs. Finally, we demonstrate applicability of these materials as fuel cell electrocatalysts and show that surface functionalization affects their performance towards oxygen reduction reaction.

08 HYDROGEN↗
DOE OSTI2019

Online, real-time analysis of highly complex processing streams: Quantification of analytes in Hanford tank sample

Processing of hazardous materials is a crucial example of where on-line monitoring can significantly reduce operation risk, cost, and time. This is particularly true in the case of the Hanford site, where nuclear materials from the cold war era are being processed for environmental cleanup efforts. In exceedingly complex streams such as those at Hanford, on-line and real-time monitoring can be a challenge due to complexity of signals. Further obstacles are imposed by the caustic nature of processing streams as well as the radiation damage inflicted on instruments and probes. On-line monitoring based on Raman spectroscopy enables the detection of many Hanford tank species of interest, and was demonstrated here on nine chemical species that comprise the majority of tank waste by volume, including Al(OH)4-, C2O42-, CO32-, CrO42-, NO32-, NO3-, OH-, PO43-, SO42-. Real-time analysis of Raman signal allows for immediate quantification of target analytes and was successfully accomplished through the use of chemometric models. Furthermore, irradiation tests reveal Raman monitoring systems can effectively continue to operate even after receiving 1·107 Rad of gamma dose. The on-line, real-time monitoring system developed here was successfully used to simultaneously quantify nine target analytes in a real samples collected from Hanford tank AP-105.

Lines, Amanda M.↗
DOE OSTI2016

Low-Frequency Interlayer Raman Modes to Probe Interface of Twisted Bilayer MoS 2

A variety of van der Waals homo- and hetero- structures assembled by stamping monolayers together present optoelectronic properties suitable for diverse applications. Understanding the details of the interlayer stacking and resulting coupling is crucial for tuning these properties. Twisted bilayer transition metal dichalcogenides offer a great platform for developing a precise understanding of the structure/property relationship. Here, we study the low-frequency interlayer shear and breathing Raman modes (<50 cm-1) in twisted bilayer MoS 2 by Raman spectroscopy and first-principles modeling. Twisting introduces both rotational and translational shifts and significantly alters the interlayer stacking and coupling, leading to notable frequency and intensity changes of low-frequency modes. The frequency variation can be up to 8 cm-1 and the intensity can vary by a factor of ~5 for twisting near 0 and 60 , where the stacking is a mixture of multiple high-symmetry stacking patterns and is thus especially sensitive to twisting. Moreover, for twisting angles between 20 and 40 , the interlayer coupling is nearly constant since the stacking results in mismatched lattices over the entire sample. It follows that the Raman signature is relatively uniform. Interestingly, unlike the breathing mode, the shear mode is extremely sensitive to twisting: it disappears between 20 and 40 as its frequency drops to almost zero due to the stacking-induced mismatch. Note that for some samples, multiple breathing mode peaks appear, indicating non-uniform coupling across the interface. In contrast to the low-frequency interlayer modes, high-frequency intralayer Raman modes are much less sensitive to interlayer stacking and coupling, showing negligible changes upon twisting. Our research demonstrates the effectiveness of low-frequency Raman modes for probing the interfacial coupling and environment of twisted bilayer MoS2, and potentially other two-dimensional materials and heterostructures.

36 MATERIALS SCIENCE↗
DOE OSTI2017

PdSe 2 : Pentagonal Two-Dimensional Layers with High Air Stability for Electronics

Most studied two-dimensional (2D) materials exhibit isotropic behavior due to high lattice symmetry; however, lower-symmetry 2D materials such as phosphorene and other elemental 2D materials exhibit very interesting anisotropic properties. In this work, we report the atomic structure, electronic properties, and vibrational modes of few-layered PdSe 2 , exfoliated from bulk crystals, a pentagonal 2D layered noble transition metal dichalcogenide with a puckered morphology that is air-stable. Micro-absorption optical spectroscopy and first-principles calculations reveal a wide band gap variation in this material from ~0 (bulk) to ~1.3 eV (monolayer). The Raman active vibrational modes of PdSe 2 were identified using polarized Raman spectroscopy, and the strong interlayer interaction was revealed from the large thickness-dependent Raman peak shifts, agreeing with first-principles Raman simulations. Field-effect transistors made from the few-layer PdSe 2 display tunable ambipolar charge carrier conduction with a high electron apparent field-effect mobility of ~158 cm 2 V -1 s -1 , indicating the promise of this anisotropic, air-stable, pentagonal 2D material for 2D electronics.

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

Electrochemically primed functional redox mediator generator from the decomposition of solid state electrolyte

Recent works into sulfide-type solid electrolyte materials have attracted much attention among the battery community. Specifically, the oxidative decomposition of phosphorus and sulfur based solid state electrolyte has been considered one of the main hurdles towards practical application. Here we demonstrate that this phenomenon can be leveraged when lithium thiophosphate is applied as an electrochemically "switched-on" functional redox mediator-generator for the activation of commercial bulk lithium sulfide at up to 70 wt.% lithium sulfide electrode content. X-ray adsorption near-edge spectroscopy coupled with electrochemical impedance spectroscopy and Raman indicate a catalytic effect of generated redox mediators on the first charge of lithium sulfide. In contrast to pre-solvated redox mediator species, this design decouples the lithium sulfide activation process from the constraints of low electrolyte content cell operation stemming from pre-solvated redox mediators. Reasonable performance is demonstrated at strict testing conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Structural characterisation of BaTiO{sub 3} thin films deposited on SrRuO{sub 3}/YSZ buffered silicon substrates and silicon microcantilevers

We report on the progress towards an all epitaxial oxide layer technology on silicon substrates for epitaxial piezoelectric microelectromechanical systems. (101)-oriented epitaxial tetragonal BaTiO{sub 3} (BTO) thin films were deposited at two different oxygen pressures, 5.10{sup −2} mbar and 5.10{sup −3} mbar, on SrRuO{sub 3}/Yttria-stabilized zirconia (YSZ) buffered silicon substrates by pulsed laser deposition. The YSZ layer full (001) orientation allowed the further growth of a fully (110)-oriented conductive SrRuO{sub 3} electrode as shown by X-ray diffraction. The tetragonal structure of the BTO films, which is a prerequisite for the piezoelectric effect, was identified by Raman spectroscopy. In the BTO film deposited at 5.10{sup −2} mbar strain was mostly localized inside the BTO grains whereas at 5.10{sup −3} mbar, it was localized at the grain boundaries. The BTO/SRO/YSZ layers were finally deposited on Si microcantilevers at an O{sub 2} pressure of 5.10{sup −3} mbar. The strain level was low enough to evaluate the BTO Young modulus. Transmission electron microscopy (TEM) was used to investigate the epitaxial quality of the layers and their epitaxial relationship on plain silicon wafers as well as on released microcantilevers, thanks to Focused-Ion-Beam TEM lamella preparation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Boehmite and Gibbsite Nanoplates for the Synthesis of Advanced Alumina Products

Boehmite (γ-AlOOH) and gibbsite (α-Al(OH) 3 ) are important archetype (oxy)hydroxides of aluminum in nature that also play diverse roles across a plethora of industrial applications. Developing the ability to understand and predict the properties and characteristics of these materials, on the basis of their natural growth or synthesis pathways, is an important fundamental science enterprise with wide-ranging impacts. The present study describes bulk and surface characteristics of these novel materials in comprehensive detail, using a collectively sophisticated set of experimental capabilities, including a range of conventional laboratory solids analyses and national user facility analyses such as synchrotron X-ray absorption and scattering spectroscopies as well as small-angle neutron scattering. Their thermal stability is investigated using in situ temperature-dependent Raman spectroscopy. Furthermore, these pure and effectively defect-free materials are ideal for synthesis of advanced alumina products.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Effects of size reduction on microstructural, optical, vibrational, magnetic and photocatalytic properties of ZnO nanocrystals

Highlights: • ZnO nanocrystals of different sizes 4–19 nm, thus different S/V ratios synthesized. • Lattice strain and lattice volume increase with size reduction. • Raman spectra show enhanced surface effects with phonon mode disappearance. • ESR shows exchange interaction; VSM shows surface originated ferromagnetism. • Photocatalysis is less affected with size reduction and surface enhancement. - Abstract: ZnO nanocrystals were synthesized in the size range 4 nm–19 nm by chemical co-precipitation method and extensively characterized by various techniques. Size control was achieved by changing the concentration of ME that acted as the capping agent. Lattice strain and lattice volume were found to increase with the decrease in crystallite size that could be attributed to an enhanced influence of surface atoms. Raman spectroscopy provided evidence of enhancement of surface influence and reduction of crystallinity with the observation of decrease in E{sub 2}{sup high} phonon mode intensity with a decrease in crystallite size. Electron spin resonance spectra revealed the presence of exchange interaction as well as presence of lattice disorder. Vibrating sample magnetometry results showed that M-H curves exhibit hysteresis loops which confirmed the ferromagnetic nature of the nanocrystals and it could be attributed to the interaction between localized electron spins resulting from oxygen vacancies at the surface. Blue shift of the UV–Visible absorption spectra was observed with decrease in crystallite size, which could be attributed to quantum confinement effect. Room temperature photoluminescence spectra were recorded under UV light excitation, which showed emission of different colours (light violet, violet, blue and green) in the visible region, attributable to the presence of various types of defects such as zinc interstitial, zinc vacancy and oxygen vacancy in the ZnO nanocrystals. Photodegradation of aqueous methylene blue by the ZnO nanocrystals was performed under simulated sunlight irradiation. There was a very small increase in efficiency of photodegradation with size reduction, which showed that there was no significant change in surface defects with size reduction in the nanocrystals despite the surface enhancement. A mechanism for photocatalysis involving defect states has been proposed.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

Multifunctional transitional metal-based phosphide nanoparticles towards improved polysulfide confinement and redox kinetics for highly stable lithium-sulfur batteries

The shuttle effect and the sluggish redox kinetics of lithium polysulfides (LiPSs) are the major issues impeding the practical applications of lithium-sulfur batteries (LSBs). Herein, a highly-efficient Ni 2 P electrocatalyst supported on N, P co-doped graphene (Ni 2 P@NPG) is developed via a simple “recrystallization-self-assembly” method to address the above issues. Here, the ultrafine Ni 2 P nanoparticles ensure abundant adsorption-diffusion-conversion interfaces for accelerating LiPSs transformation and Li 2 S deposition, which extremely decreases the accumulation of LiPSs in the electrolyte and therefore prevents the migration of LiPSs. Their superior catalytic performance is demonstrated by reduced Gibbs free energy changes of rate-limiting step based on the systematic theoretical calculations and the reduced shuttle effect is tested by the three-dimensional reconstructions of Raman depth profiles. Benefiting from these synergistic effects, the LSBs with Ni 2 P@NPG modified separators present a superior cycling performance with an average capacity decay rate of 0.048 % per cycle at 1C around the 400 cycles and a high-rate capacity of 731 mAh/g at 2C. Even with a high-sulfur loading of 3.53 mg cm –2 , the cell can still contain a reversible capacity of 809 mAh/g at 0.2C with a remarkable columbic efficiency of 98.4 %.

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

Evidence of superconductivity-induced phonon spectra renormalization in alkali-doped iron selenides

Polarized Raman scattering spectra of superconducting K x Fe 2-y Se 2 and nonsuperconducting K 0.8 Fe 1.8 Co 0.2 Se 2 single crystals were measured in a temperature range from 10 K up to 300 K. Two Raman active modes from the I4/mmm phase and seven from the I4/m phase are observed in frequency range from 150 to 325 cm -1 in both compounds, suggesting that K 0.8 Fe 1.8 Co 0.2 Se 2 single crystal also has two-phase nature. Temperature dependence of Raman mode energy is analyzed in terms of lattice thermal expansion and phonon-phonon interaction. Temperature dependence of Raman mode linewidth is considered as temperature-induced anharmonic effects. It is shown that change of Raman mode energy with temperature is dominantly driven by thermal expansion of the crystal lattice. Abrupt change of the A 1g mode energy near T C was observed in K x Fe 2-y Se 2 , whereas it is absent in K 0.8 Fe 1.8 Co 0.2 Se 2 . Phonon energy hardening at low temperatures in the superconducting sample is a consequence of superconductivity-induced redistribution of the electronic states below critical temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗