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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Evolution of LIBS technology to mobile instrumentation for expediting firearm-related investigations at the laboratory and the crime scene

Gunshot residue (GSR) is one of the few forensic disciplines that lack accurate screening techniques. This study proposes using a mobile LIBS instrument to detect inorganic GSR and compares performance to a previously validated laboratory instrument. The mobile LIBS is designed with advanced configurations specifically for on-site GSR analysis, including a CMOS detector and a sampling chamber that holds up to six typical GSR collection devices with separate gas flow ports to prevent cross-contamination. A significant novelty of the portable instrument is its image magnification, which allows quick searching and visualization of GSR particle morphology. The single-particle imaging and elemental composition capability is one of a kind and offers superior confirmatory features for GSR. The mobile LIBS performance was evaluated for residues collected from the hands of shooters (100 samples) and non-shooters (200 background samples), analyzed sequentially by the mobile instrument and then the laboratory instrument. Accuracies better than 98.8% were obtained by both instruments, demonstrating their suitability for trace IGSR detection from skin specimens. Implementation of this methodology is anticipated to drastically speed up response times (i.e., from several hours per sample by standard SEM-EDS practice to a few minutes by LIBS). The screening methods can be easily incorporated into workflows to improve decision-making processes at the crime scene and laboratory settings, reduce backlogs, and improve case management.

47 OTHER INSTRUMENTATION↗
DOE OSTI2014

Recycling-oriented characterization of plastic frames and printed circuit boards from mobile phones by electronic and chemical imaging

Highlights: • A recycling oriented characterization of end-of-life mobile phones was carried out. • Characterization was developed in a zero-waste-perspective, aiming to recover all the mobile phone materials. • Plastic frames and printed circuit boards were analyzed by electronic and chemical imaging. • Suitable milling/classification strategies were set up to define specialized-pre-concentrated-streams. • The proposed approach can improve the recovery of polymers, base/precious metals, rare earths and critical raw materials. - Abstract: This study characterizes the composition of plastic frames and printed circuit boards from end-of-life mobile phones. This knowledge may help define an optimal processing strategy for using these items as potential raw materials. Correct handling of such a waste is essential for its further “sustainable” recovery, especially to maximize the extraction of base, rare and precious metals, minimizing the environmental impact of the entire process chain. A combination of electronic and chemical imaging techniques was thus examined, applied and critically evaluated in order to optimize the processing, through the identification and the topological assessment of the materials of interest and their quantitative distribution. To reach this goal, end-of-life mobile phone derived wastes have been systematically characterized adopting both “traditional” (e.g. scanning electronic microscopy combined with microanalysis and Raman spectroscopy) and innovative (e.g. hyperspectral imaging in short wave infrared field) techniques, with reference to frames and printed circuit boards. Results showed as the combination of both the approaches (i.e. traditional and classical) could dramatically improve recycling strategies set up, as well as final products recovery.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

Leaching of Au, Ag, and Pd from waste printed circuit boards of mobile phone by iodide lixiviant after supercritical water pre-treatment

Highlights: • We report a novel process for recovering Au, Ag, and Pd from waste PCBs. • The effect of SCWO on the leaching of Au, Ag, and Pd in waste PCBs was studied. • SCWO was highly efficient for enhancing the leaching of Au, Ag, and Pd. • The optimum leaching parameters for Au, Ag, and Pd in iodine–iodide were studied. - Abstract: Precious metals are the most attractive resources in waste printed circuit boards (PCBs) of mobile phones. In this work, an alternative process for recovering Au, Ag, and Pd from waste PCBs of mobile phones by supercritical water oxidation (SCWO) pre-treatment combined with iodine–iodide leaching process was developed. In the process, the waste PCBs of mobile phones were pre-treated in supercritical water, then a diluted hydrochloric acid leaching (HL) process was used to recovery the Cu, whose leaching efficiency was approximately 100%, finally the resulting residue was subjected to the iodine–iodide leaching process for recovering the Au, Ag, and Pd. Experimental results indicated that SCWO pre-treatment temperature, time, and pressure had significant influence on the Au, Ag, and Pd leaching from (SCWO + HL)-treated waste PCBs. The optimal SCWO pre-treatment conditions were 420 °C and 60 min for Au and Pd, and 410 °C and 30 min for Ag. The optimum dissolution parameters for Au, Pd, and Ag in (SCWO + HL)-treated PCBs with iodine–iodide system were leaching time of 120 min (90 min for Ag), iodine/iodide mole ratio of 1:5 (1:6 for Ag), solid-to-liquid ratio (S/L) of 1:10 g/mL (1:8 g/mL for Ag), and pH of 9, respectively. It is believed that the process developed in this study is environment friendly for the recovery of Au, Ag, and Pd from waste PCBs of mobile phones by SCWO pre-treatment combined with iodine–iodide leaching process.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Development of a Platform for High-Resolution Ion Mobility Separations Coupled with Messenger Tagging Infrared Spectroscopy for High-Precision Structural Characterizations

The ability to uniquely identify a compound requires highly precise and orthogonal measurements. Here we describe a newly developed analytical platform that integrates high resolution ion mobility and cryogenic vibrational ion spectroscopy for high-precision structural characterizations. This platform allows for the temporal separation of isomeric/isobaric ions and provides a highly sensitive description of the ion’s adopted geometry in the gas phase. The combination of these orthogonal structural measurements yields precise descriptors that can be used to resolve between and confidently identify highly similar ions. The unique benefits of our instrument, which integrates a structures for lossless ion manipulations ion mobility (SLIM IM) device with messenger tagging infrared spectroscopy, include the ability to perform high-resolution ion mobility separations and to record the IR spectra of all ions simultaneously. The SLIM IM device, with its 13 m separation path length, allows for multipass experiments to be performed for increased resolution as needed. It is integrated with an Agilent qTOF MS where the collision cell was replaced with a cryogenically held (30 K) TW-SLIM module. The cryo-SLIM is operated in a novel manner that allows ions to be streamed through the device and collisionally cooled to a temperature where they can form noncovalently bound N 2 complexes that are maintained as they exit the device and are detected by the TOF mass analyzer. The instrument can be operated in two modes: IMS+IR where the IR spectra for mobility-selected ions can be recorded and IR-only mode where the IR spectra for all mass-resolved ions can be recorded. In IR-only mode, IR spectra (400 cm –1 spectral range) can be recorded in as short as 2 s for high throughput measurements. Further, this work details the construction of the instrument and modes of operation. It provides initial benchmarking of CCS and IR measurements to demonstrate the utility of this instrument for targeted and untargeted approaches.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Monofluorination of Naphthyls Promotes the Cofacial π–π Stacking and Increases the Electron Mobility of Non-Planar Zinc(II) Complexes of Di(naphthylethynyl)azadipyrromethene

The homoleptic zinc(II) complex of [2,8-di(1-naphthylethynyl) 3,7-diphenyl 1,9-(4-hexylphenyl)azadipyrromethene (ZnL2) 2 ] is a promising non-planar non-fullerene acceptor for organic photovoltaic applications, but it has a relatively low electron mobility that may limit its performance. Here, we explored the fluorination of peripheral aryl groups to increase intermolecular cofacial π–π stacking interactions, which are desirable for electron transport. Here complexes with fluorine on the distal phenyls [Zn(1F-L2) 2 ], on the naphthyls [Zn(2F-L2) 2 ], and on both [Zn(3F-L2) 2 ] were synthesized and characterized. All three complexes had similar optical and electrochemical properties. The crystal packing structure of Zn(2F-L2) 2 and Zn(3F-L2) 2 revealed cofacial parallel-displaced π–π stacking between the fluorinated 1-naphthylethynyl groups. Such a cofacial orientation was not observed in Zn(L2) 2 crystals, suggesting that fluorination of the naphthyl groups promotes the cofacial π–π stacking orientation. The hole mobility increased from 1.0 × 10 –4 cm 2 V –1 s –1 for Zn(L2) 2 to 0.8–1.0 × 10 –3 cm 2 V –1 s –1 for the fluorinated complexes. Fluorination on the naphthyl groups increased the electron mobility from 4.2 × 10 –5 cm 2 V –1 s –1 for Zn(L2) 2 and Zn(1F-L2) 2 to 2.0 × 10 –4 cm 2 V –1 s –1 for Zn(2F-L2) 2 and Zn(3F-L2) 2 , consistent with cofacial π–π stacking being favorable for electron transport. The three complexes were tested in OPVs using regioregular poly(3-hexylthiophene) (P3HT) as the p-type material, and the best power conversion efficiencies were 5.2, 5.4, and 5.8% for Zn(2F-L2) 2 , Zn(1F-L2) 2 , and Zn(3F-L2) 2 , respectively, compared to 5.5% for Zn(L2) 2 . The fluorination combination found in Zn(3F-L2) 2 resulted in the best device performance. This study points to a viable strategy to increase the electron mobility and performance of non-planar zinc(II) complexes of azadipyrromethene.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Effect of Water on Molecular Mobility and Physical Stability of Amorphous Pharmaceuticals

In this work, we investigated the influence of sorbed water concentration on the molecular mobility and crystallization behavior in a model amorphous drug and a solid dispersion. The temperature scaling ($T_g/T$) allowed us to simultaneously evaluate the effects of water content and temperature on the relaxation time. In the supercooled dispersions, once scaled, the relaxation times of the systems with different water content overlapped. Thus, the observed increase in mobility could be explained by the “plasticization” effect of water. This effect also explained the decrease in crystallization onset temperature brought about by water. That is, plasticization is the underlying mechanism governing the observed increase in mobility and physical instability in the supercooled state. Similar results were observed in the glassy drug substance. A single linear relationship was observed between crystallization time (time for 0.5% crystallization) and $T_g/T$ in both dry and water containing systems. Since fragility is unaffected by modest amounts of water, much like crystallization time, the mobility in the glass is expected to scale with $T_g$.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

High-Mobility Hole Transport in Single-Grain PbSe Quantum Dot Superlattice Transistors

Epitaxially-fused superlattices of colloidal quantum dots (QD epi-SLs) may exhibit electronic minibands and high-mobility charge transport, but electrical measurements of epi-SLs have been limited to large-area, polycrystalline samples in which superlattice grain boundaries and intragrain defects suppress/obscure miniband effects. Systematic measurements of charge transport in individual, highly-ordered epi-SL grains would facilitate the study of minibands in QD films. Here, we demonstrate the air-free fabrication of microscale field-effect transistors (μ-FETs) with channels consisting of single PbSe QD epi-SL grains (2–7 μm channel dimensions) and analyze charge transport in these single-grain devices. The eight devices studied show p-channel or ambipolar transport with a hole mobility as high as 3.5 cm 2 V –1 s –1 at 290 K and 6.5 cm 2 V –1 s –1 at 170–220 K, one order of magnitude larger than that of previous QD solids. The mobility peaks at 150–220 K, but device hysteresis at higher temperatures makes the true mobility–temperature curve uncertain and evidence for miniband transport inconclusive.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Large Polaron Screening Delays Mobility Roll-Off in Halide Perovskites under High Injection

The interplay between carrier density regimes and the various scattering processes is fundamental for understanding charge transport efficiency in high-performance semiconductors. Combining ultrafast time-resolved terahertz spectroscopy (TRTS) and transient microwave photoconductivity (TRMC), we measure carrier mobilities over 7 orders of magnitude (10 13 –10 20 carriers cm –3 ), reaching a regime where carrier–carrier scattering dominates and mobility begins to roll off. We find the Caughey–Thomas model can be effectively employed for transport modeling in 3D metal halide perovskites (MHPs), and the mobility roll-off near ∼10 19 cm –3 can be tuned by MHP composition. Carrier lifetime in MHPs starts decreasing at much lower carrier densities due to interband multi-carrier recombination, while intraband carrier mobility remains unchanged as carrier–carrier scattering is screened by the presence of polarons. The validated Caughey–Thomas model provides a practical input for device simulations, prevents overestimation of diffusion length under high injection, and suggests that MHPs are excellent candidates for unipolar device applications under high carrier densities.

14 SOLAR ENERGY↗
DOE OSTI2024

Biaxial Tensile Strain Enhances Electron Mobility of Monolayer Transition Metal Dichalcogenides

Strain engineering can modulate the material properties of two-dimensional (2D) sem- iconductors for electronic and optoelectronic applications. Recent theory and experiments have found that uniaxial tensile strain can improve the electron mobility of monolayer MoS 2 , a 2D semiconductor, but the effects of biaxial strain on charge transport are not well-understood in 2D semiconductors. Here, we use biaxial tensile strain on flexible substrates to probe the electron mobility in monolayer WS 2 and MoS 2 transistors. Further, this approach experimentally achieves ~2× higher on-state current and mobility with ~0.3% applied biaxial strain in WS 2 , the highest mobility improvement at the lowest strain reported to date. We also examine the mechanisms behind this improvement through density functional theory simulations, concluding that the enhancement is primarily due to reduced intervalley electron-phonon scattering. These results underscore the role of strain engineering 2D semiconductors for flexible electronics, sensors, integrated circuits, and other opto-electronic applications.

2D materials↗
DOE OSTI2020

A Customizable Metric to Provide a Comprehensive Picture of the Mobility Potential of a Location

Accessibility in a geo-spatial context refers to the ease of reaching a variety of opportunities from a given location. Accessibility theories (and resulting metrics) have traditionally focused on quantifying access to specific opportunities (such as jobs), or focused on specific modes (such as car, bike, etc.). Such approaches often fall short of providing a comprehensive picture of the true accessibility potential of a location as a combination of multiple modes to multiple types of destinations. Addressing this drawback, a novel metric labeled the ‘Mobility Energy Productivity (MEP) Metric’ was developed at the National Renewable Energy Laboratory to quantify the mobility potential of a location to connect people to goods, services, and employment using a variety of modes, while accounting for time, energy, and affordability. The MEP metric has been integrated with advance travel behavior models to compute the changes in mobility potential for various future scenarios, such as introduction of automated vehicles, and/or electric vehicles—but does so at the aggregate, or average-citizen level. The MEP in its initial iteration is not customized to the particular socio-economic contingents, or even to an individual whose modal availability or pattern of trip making may substantially differ from the average. Addressing this gap, this research effort extends the MEP framework from a static state to a more tailored and dynamic state, one in which an individual, or group can customize the metric for their unique characteristics, such as modes, activity patterns, and time-of-day preferences. The extended MEP metric framework can now be integrated to assess the customized mobility energy productivity of an individual.

ADVANCED PROPULSION SYSTEMS,ENERGY PLANNING, POLIC↗
DOE OSTI2021

A Safety and Management Framework to Enable Automated Mobility Districts in Urban Areas

Automated mobility technology is beginning to emerge as a viable means to create sustainable and effective public mobility systems within denser urban environments. Automated mobility districts (AMDs) describe major urban districts or activity centers in which deployments of multiple automated vehicle (AV) transit and ride-hailing fleets are supported to meet public mobility needs. The authors put forward a framework to enable AMDs and their governing and management jurisdictional authorities to manage safety of AV operations based on lessons learned from the last century of automated guideway transit and roadway intersection traffic control systems. The essential concept is that of operational management and safety-critical control of multiple AV fleets using a “system-of-systems” approach to system safety analysis. The safety analysis would focus on safe passage of the AV fleet vehicles through complex roadway intersections and junctions, especially in the presence of other non-automated modes such as pedestrians and manually operated vehicles.

47 OTHER INSTRUMENTATION↗
DOE OSTI2014

Quantum calculations of the carrier mobility: Methodology, Matthiessen's rule, and comparison with semi-classical approaches

We discuss carrier mobilities in the quantum Non-Equilibrium Green's Functions (NEGF) framework. We introduce a method for the extraction of the mobility that is free from contact resistance contamination and with minimal needs for ensemble averages. We focus on silicon thin films as an illustration, although the method can be applied to various materials such as semiconductor nanowires or carbon nanostructures. We then introduce a new paradigm for the definition of the partial mobility μ{sub M} associated with a given elastic scattering mechanism “M,” taking phonons (PH) as a reference (μ{sub M}{sup −1}=μ{sub PH+M}{sup −1}−μ{sub PH}{sup −1}). We argue that this definition makes better sense in a quantum transport framework as it is free from long range interference effects that can appear in purely ballistic calculations. As a matter of fact, these mobilities satisfy Matthiessen's rule for three mechanisms [e.g., surface roughness (SR), remote Coulomb scattering (RCS) and phonons] much better than the usual, single mechanism calculations. We also discuss the problems raised by the long range spatial correlations in the RCS disorder. Finally, we compare semi-classical Kubo-Greenwood (KG) and quantum NEGF calculations. We show that KG and NEGF are in reasonable agreement for phonon and RCS, yet not for SR. We discuss the reasons for these discrepancies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Anisotropy in the hole mobility measured along the [110] and [1{sup ¯}10] orientations in a strained Ge quantum well

In this paper, we report on anisotropic transport properties of strained germanium (sGe) quantum wells grown on Si (001) substrates with p-type doping beneath the sGe channel. Mobility measurements were made along orthogonal [110] directions. The level of measured resistivity anisotropy in the [110] and [1{sup ¯}10] orientations was found to vary between 2 and 9 for different samples. This corresponds to an actual mobility anisotropy ratio of between 1.3 and 2, values that are significantly higher than previously found for sGe. From modeling of the low temperature (12 K) mobility, using the relaxation time approach, the anisotropy in mobility was accounted for by a difference in interface roughness scattering between the two orientations. For the [110] orientation, a step height of Δ = 0.28 nm and interface roughness periodicity of λ = 7 nm were found while for the [1{sup ¯}10] orientation, λ reduced to 4 nm and Δ increased to 0.42 nm. High-resolution X-ray diffraction and transmission electron microscopy confirmed a 1° off-cut in the wafer towards the [1{sup ¯}10] direction.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Reconciling macro- with nano- carrier mobility measurements in organic photovoltaic blends

Conductive atomic force microscopy (CAFM) is a valuable tool for electrical characterization of organic photovoltaics. However, the quantitative interpretation of the data is complicated by an apparent disagreement between the carrier mobilities calculated by CAFM and those determined by macroscopic measurements, with no apparent physical explanation for the discrepancy. In the present work, the space charge limited current model (specifically Mott-Gurney law) and its assumptions are assessed, and a physical model reconciling this discrepancy is proposed. Its applicability on the tip-sample system used in CAFM measurements is discussed, by accounting for the high electric fields arising around the tip of the CAFM probe and affecting carrier mobility. Charge carrier mobility is calculated from current-voltage curves obtained from conductive atomic force microscopy spectroscopy scans done on Poly(3-hexylthiophene-2,5-diyl): 95% PC{sub 70}BM ([6,6]-Phenyl-C71-butyric acid methyl ester)/5% PC{sub 60}BM ([6,6]-Phenyl-C61-butyric acid methyl ester) samples for different concentration ratios of donor and acceptor. We show that charge carrier mobilities obtained with this model are in satisfactory agreement with macroscopic measurements available in literature.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Advantage of suppressed non-Langevin recombination in low mobility organic solar cells

Photovoltaic performance in relation to charge transport is studied in efficient (7.6%) organic solar cells (PTB7:PC{sub 71}BM). Both electron and hole mobilities are experimentally measured in efficient solar cells using the resistance dependent photovoltage technique, while the inapplicability of classical techniques, such as space charge limited current and photogenerated charge extraction by linearly increasing voltage is discussed. Limits in the short-circuit current originate from optical losses, while charge transport is shown not to be a limiting process. Efficient charge extraction without recombination can be achieved with a mobility of charge carriers much lower than previously expected. The presence of dispersive transport with strongly distributed mobilities in high efficiency solar cells is demonstrated. Reduced non-Langevin recombination is shown to be beneficial for solar cells with imbalanced, low, and dispersive electron and hole mobilities.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Interfacial trap states and improvement of low-temperature mobility by doping in InSb/AlInSb quantum wells

The effect of doping on InSb/Al{sub 0.1}In{sub 0.9}Sb quantum wells (QWs) was investigated, and it was found that doping improves the electron mobility at low temperatures and leads to a weaker dependence of the resistivity with temperature. The dependence of the carrier density on the well width revealed trap states at the interfaces of the QW whose sheet density per interface was estimated to be about 4 × 10{sup 10 }cm{sup −2}. The low mobility of undoped InSb QWs, in particular, at low temperature seems to have been caused by positively ionized impurity scattering at the interfacial trap states. Doping compensates for the trap states and enhances mobility by suppressing ionized impurity scattering. Thus, intentional doping is necessary for developing high-mobility InSb QW devices. The origin of the trap states is qualitatively discussed.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Central role of electronic temperature for photoelectron charge and spin mobilities in p{sup +}-GaAs

The charge and spin mobilities of minority photoelectrons in p{sup +}-GaAs are determined by monitoring the effect of an electric field on the spatial profiles of the luminescence and of its polarization. By using electric fields to increase the photoelectron temperature T{sub e} without significantly changing the hole or lattice temperatures, the charge and spin mobilities are shown to be principally dependent on T{sub e}. For T{sub e} > 70 K, both the charge and spin mobilities vary as T{sub e}{sup −1.3}, while at lower temperatures this changes to an even more rapid T{sub e}{sup −4.3} law. This finding suggests that current theoretical models based on degeneracy of majority carriers cannot fully explain the observed temperature dependence of minority carrier mobility.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Electronic properties and carrier mobilities of 6,6,12-graphyne nanoribbons

Structures, stabilities, electronic properties and carrier mobilities of 6,6,12-graphyne nanoribbons (GyNRs) with armchair and zigzag edges are investigated using the self-consistent field crystal orbital method based on density functional theory. It is found that the 1D GyNRs are more stable than the 2D 6,6,12-graphyne sheet in the view of the Gibbs free energy. The stabilities of these GyNRs decrease as their widths increase. The calculated band structures show that all these GyNRs are semiconductors and that dependence of band gaps on the ribbon width is different from different types of the GyNRs. The carrier mobility was calculated based on the deformation theory and effective mass approach. It is found that the carrier mobilities of these GyNRs can reach the order of 10{sup 5} cm{sup 2} V {sup –1}s{sup –1} at room temperature and are comparable to those of graphene NRs. Moreover, change of the mobilities with change of the ribbon width is quite different from different types of the GyNRs.

36 MATERIALS SCIENCE↗