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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Phosphate‐functionalized Zirconium Metal–Organic Frameworks for Enhancing Lithium–Sulfur Battery Cycling

Abstract Lithium–sulfur batteries are promising candidates for next‐generation energy storage devices due to their outstanding theoretical energy density. However, they suffer from low sulfur utilization and poor cyclability, greatly limiting their practical implementation. Herein, we adopted a phosphate‐functionalized zirconium metal–organic framework (Zr‐MOF) as a sulfur host. With their porous structure, remarkable electrochemical stability, and synthetic versatility, Zr‐MOFs present great potential in preventing soluble polysulfides from leaching. Phosphate groups were introduced to the framework post‐synthetically since they have shown a strong affinity towards lithium polysulfides and an ability to facilitate Li ion transport. The successful incorporation of phosphate in MOF‐808 was demonstrated by a series of techniques including infrared spectroscopy, solid‐state nuclear magnetic resonance spectroscopy, and X‐ray pair distribution function analysis. When employed in batteries, phosphate‐functionalized Zr‐MOF (MOF‐808‐PO4) exhibits significantly enhanced sulfur utilization and ion diffusion compared to the parent framework, leading to higher capacity and rate capability. The improved capacity retention and inhibited self‐discharge rate also demonstrate effective polysulfide encapsulation utilizing MOF‐808‐PO4. Furthermore, we explored their potential towards high‐density batteries by examining the cycling performance at various sulfur loadings. Our approach to correlate structure with function using hybrid inorganic–organic materials offers new chemical design strategies for advancing battery materials.

Liu, Bingqian↗
DOE OSTI2023

Going off topics to demix quark and gluon jets in α S extractions

Quantum chromodynamics is the theory of the strong interaction between quarks and gluons; the coupling strength of the interaction, α S , is the least precisely-known of all interactions in nature. An extraction of the strong coupling from the radiation pattern within jets would provide a complementary approach to conventional extractions from jet production rates and hadronic event shapes, and would be a key achievement of jet substructure at the Large Hadron Collider (LHC). Presently, the relative fraction of quark and gluon jets in a sample is the limiting factor in such extractions, as this fraction is degenerate with the value of αS for the most well-understood observables. To overcome this limitation, we apply recently proposed techniques to statistically demix multiple mixtures of jets and obtain purified quark and gluon distributions based on an operational definiton. We illustrate that studying quark and gluon jet substructure separately can significantly improve the sensitivity of such extractions of the strong coupling. We also discuss how using machine learning techniques or infrared- and collinear-unsafe information can improve the demixing performance without the loss of theoretical control. While theoretical research is required to connect the extract topics with the quark and gluon objects in cross section calculations, our study illustrates the potential of demixing to reduce the dominant uncertainty for the α S extraction from jet substructure at the LHC.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Humidity sensitivity of large area silicon sensors: Study and implications

The production of large area sensors is one of the main challenges that the ATLAS collaboration faces for the new Inner-Tracker full-silicon detector. During the prototype fabrication phase for the High Luminosity Large Hadron Collider upgrade, several ATLAS institutes observed indications of humidity sensitivity of large area sensors, even at relative humidities well below the dew point. Specifically, prototype Barrel and End-Cap silicon strip sensors fabricated in 6-inch wafers manifest a prompt decrease of the breakdown voltage when operating under high relative humidity, adversely affecting the performance of the sensors. In addition to the investigation of these prototype sensors, a specific fabrication batch with special passivation is also studied, allowing for a deeper understanding of the responsible mechanisms. Here we present an extensive study of this behaviour on large area sensors. The locations of the hotspots at the breakdown voltage at high humidity are revealed using different infrared thermography techniques. Several palliative treatments are attempted, proving the influence of sensor cleaning methods, as well as baking, on the device performance, but no improvement on the humidity sensitivity was achieved. Furthermore, a study of the incidence of the sensitivity in different batches is also presented, introducing a hypothesis of the origins of the humidity sensitivity associated to the sensor edge design, together with passivation thickness and conformity. Several actions to be taken during sensor production and assembly are extracted from this study, in order to minimize the impact of humidity sensitivity on the performance of large area silicon sensors for High Energy Physics experiments.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Can Li: A Career in Catalysis

Prof. Can Li is distinguished for his seminal achievements in fundamental and applied researches in catalysis, especially in advancing the characterization of catalysts and catalytic reactions related to solar energy conversion and fine chemical synthesis. The scope of his research is wide ranging, and he is leading some of the fields. This account highlights his major scientific achievements in advancing the fundamental sciences of characterizing catalysts and understanding the mechanisms of catalytic reactions by developing in situ spectroscopic techniques (e.g., infrared (IR), ultraviolet (UV), Raman, space- and time-resolved spectroscopies and photoelectric imaging), and applying the obtained knowledge in the rational design and synthesis of catalysts for practical applications in photocatalytic, electrocatalytic and photoelectrocatalytic water splitting and CO 2 reduction, chiral synthesis in nanoreactors and ultradeep desulfurization of fuels, and fine chemical synthesis. In particular, his demonstration of the kiloton scale solar fuel production project will be introduced as a successful model for converting fundamental science into practical and impactful applications to convert CO 2 and water into solar fuels. This account also highlights his services to the catalysis communities and international collaborations for promoting catalysis science worldwide.

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

High-efficiency, high-fidelity charge initialization of shallow nitrogen-vacancy centers in diamond

Nitrogen-vacancy (N-𝑉) centers in diamond exhibit long spin-coherence times, optical initialization, and optical-spin readout under ambient conditions, making them excellent quantum sensors. However, the conventional scheme for charge-state initialization based on off-resonant green excitation results in significant state-preparation errors, typically around 30%. One method for improving charge-state initialization fidelity is to use multicolor excitation, which has been demonstrated to achieve a near-unity preparation fidelity for bulk N-𝑉 centers by using a few milliseconds of near-infrared (NIR) (5-mW) and green (10-μ⁢W) excitation. The translation of such schemes to N-𝑉 centers near the diamond surface with higher-efficiency optical pumping would enable new applications in nanoscale sensing. Here, we demonstrate a protocol for efficient charge initialization of shallow N-𝑉 centers between 5 nm and 15 nm from the diamond surface. By carefully studying the charge dynamics of shallow N-𝑉 centers, we identify a region of parameter space that allows for near-unity (95%) charge initialization within 300 μ⁢s of NIR (905-nm, 1-mW) and green (520-nm, 10-μ⁢W) excitation. The time to 90% charge initialization can be as fast as 10 μ⁢s for 4 mW of NIR and 39 μ⁢W of green illumination. This fast, efficient charge initialization protocol will especially benefit nanoscale sensing applications in which state-preparation errors currently prohibit scaling, such as measuring higher-order multipoint correlators.

infrared techniques↗
DOE OSTI2023

Raman Wavelength Conversion in Ionic Liquids

Here, we explore the use of room-temperature ionic liquids (ILs) as Raman wavelength converters. ILs provide an engineerable framework to design suitable liquids for wavelength conversion over a broad spectral range, through careful selection of the molecular structures of the IL anions and cations so that specific characteristics can be obtained, such as a desirable Raman shift, low Brillouin scattering, and good optical transmission in the pump and Stokes wavelengths. Applying such criteria, we demonstrate that 1-ethyl-3-methylimidazolium dicyanamide (EMIM DCA) is an effective medium for conversion of 532-nm pulses from a Q-switched Nd :YAG laser to 603 nm. This corresponds to an approximate 2200 cm –1 shift, which can be used to generate mid-infrared radiation through subsequent difference frequency generation for optical pumping of CO 2 lasers. Threefold-higher Raman conversion efficiency is obtained in EMIM DCA compared with water under identical conditions in a proof-of-principle single-pass conversion setup, resulting in an efficient generation of multimillijoule, <6 ns duration, high-quality orange laser pulses in a wavelength region that is difficult to access at high energies. Consequently, we examine ILs representing two other classes of Raman-active functional groups and obtain conversion up to the fifth-order Stokes shift and first anti-Stokes shift. Through the tunable selection of their components and their useful dynamical properties, ILs provide a platform for efficient, simple, and alignment-tolerant high-energy Raman shifting with numerous industrial and technological applications.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Anomalous Auger Recombination in PbSe

Using first-principles approaches we find that the Auger recombination in PbSe is anomalous in three distinct ways. First, the direct Auger coefficient is 4 orders of magnitude lower than that of other semiconductors with similar band gaps, a result that can be attributed to the lack of involvement of a heavy-hole band. Second, phonon-assisted indirect Auger recombination prevails, contrary to the common belief that direct Auger is dominant in narrow-gap semiconductors. Third, an unexpectedly weak temperature dependence of the Auger coefficient is observed, which we can now attribute to the indirect nature of the Auger process. The widely accepted explanation of this behavior in terms of an unusual temperature dependence of the band gap is only a secondary effect. Furthermore, our results elucidate the mechanisms underlying the anomalous Auger recombination in IV-VI semiconductors in general, which is critical for understanding and engineering carrier transport.

36 MATERIALS SCIENCE↗
DOE OSTI2023

EuCd 2 ⁢As 2 : A Magnetic Semiconductor

EuCd 2 ⁢As 2 is now widely accepted as a topological semimetal in which a Weyl phase is induced by an external magnetic field. Here, we challenge this view through firm experimental evidence using a combination of electronic transport, optical spectroscopy, and excited-state photoemission spectroscopy. We show that the EuCd 2 ⁢As 2 is in fact a semiconductor with a gap of 0.77 eV. We show that the externally applied magnetic field has a profound impact on the electronic band structure of this system. This is manifested by a huge decrease of the observed band gap, as large as 125 meV at 2 T, and, consequently, by a giant redshift of the interband absorption edge. However, the semiconductor nature of the material remains preserved. EuCd 2 ⁢As 2 is therefore a magnetic semiconductor rather than a Dirac or Weyl semimetal, as suggested by ab initio computations carried out within the local spin-density approximation.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Spectroscopic Investigation of Catalyst Inks and Thin Films Toward the Development of Ionomer Quality Control

As the production of polymer electrolyte fuel cells expands, novel quality control methods must be invented or adapted in order to support expected rates of production. Ensuring the quality of deposited catalyst layers is an essential step in the fuel cell manufacturing process, as the efficiency of a fuel cell is reliant on the catalyst layer being uniform at both the target platinum loading and the target ionomer content. Implementing a quality control method that is sensitive to these aspects is imperative, as wasting precious metals and other catalyst materials is expensive, and represents a potential barrier to entry into the field for manufacturers experimenting with novel deposition processes. In this work, we analyzed catalyst inks to determine if their ionomer content could be quantized spectroscopically. Attenuated total reflection (ATR) Fourier transform infrared spectroscopic technique was investigated producing a signal proportional to the ionomer content. ATR spectroscopy was able to quantitatively differentiate samples in which the ionomer to carbon mass ratio (I/C) varied between 0.9 and 3.0. The I/C ratio was correlated to the measured ATR signal near the CF 2 vibrational bands located between 1100 cm −1 and 1400 cm −1 . The experimental results obtained constitute a step toward the development of novel quality control methodologies for catalyst inks utilized by the fuel cell industry.

30 DIRECT ENERGY CONVERSION↗
NASA NTRS1971

Experimental and computer studies of the radiation effects in silicon solar cells

A summary of selected experimental results obtained on lithium-diffused bulk silicon is presented. Particular emphasis is placed on the radiation-induced degradation and thermal annealing of minority carriers in bulk silicon because solar cell output is related to the minority carrier lifetime. The temperature dependence of the minority carrier lifetime indicates the density and energy levels of the recombination centers and provides clues to their identity. Electron spin resonance and infrared absorption techniques are used to investigate the introduction and anneal of three specific radiation induced defects, which are thought to contribute to the recombination process.

Leadon, R. E.↗
NASA NTRS1971

Methods of measurement for semiconductor materials, process control, and devices

The development of methods of measurement for semiconductor materials, process control, and devices is discussed. The following subjects are also presented: (1) demonstration of the high sensitivity of the infrared response technique by the identification of gold in a germanium diode, (2) verification that transient thermal response is significantly more sensitive to the presence of voids in die attachment than steady-state thermal resistance, and (3) development of equipment for determining susceptibility of transistors to hot spot formation by the current-gain technique.

Bullis, W. M.↗
NASA NTRS1972

Methods of measurement for semiconductor materials, process control, and devices

Activities directed toward the development of methods of measurement for semiconductor materials, process control, and devices are described. Topics investigated include: measurements of transistor delay time; application of the infrared response technique to the study of radiation-damaged, lithium-drifted silicon detectors; and identification of a condition that minimizes wire flexure and reduces the failure rate of wire bonds in transistors and integrated circuits under slow thermal cycling conditions. Supplementary data concerning staff, standards committee activities, technical services, and publications are included as appendixes.

Bullis, W. M.↗
NASA NTRS1972

Methods of measurement for semiconductor materials, process control, and devices

Activities directed toward the development of methods of measurement for semiconductor materials, process control, and devices are described. Accomplishments include the determination of the reasons for differences in measurements of transistor delay time, identification of an energy level model for gold-doped silicon, and the finding of evidence that it does not appear to be necessary for an ultrasonic bonding tool to grip the wire and move it across the substrate metallization to make the bond. Work is continuing on measurement of resistivity of semiconductor crystals; study of gold-doped silicon; development of the infrared response technique; evaluation of wire bonds and die attachment; measurement of thermal properties of semiconductor devices, delay time, and related carrier transport properties in junction devices, and noise properties of microwave diodes; and characterization of silicon nuclear radiation detectors.

Bullis, W. M.↗
NASA NTRS1971

Remote sensing of vigor loss in conifers due to dwarf mistletoe

The initial operation of a multiband/multidate tower-tramway test site in northeastern Minnesota for the development of specifications for subsequent multiband aerial photography of more extensive study areas was completed. Multiband/multidate configurations suggested by the tower-tramway studies were and will be flown with local equipment over the Togo test site. This site was photographed by the NASA RB57F aircraft in August and September 1971. It appears that, of all the film/filter combinations attempted to date (including optical recombining of several spectral band images via photo enhancement techniques), Ektachrome infrared film with a Wratten 12 filter is the best for detecting dwarf mistletoe, and other tree diseases as well. Using this film/filter combination, infection centers are easily detectable even on the smallest photo scale (1:100,000) obtained on the Togo site.

Meyer, M. P.↗
NASA NTRS1972

Methods of measurement for semiconductor materials, process control, and devices

Significant accomplishments include development of a procedure to correct for the substantial differences of transistor delay time as measured with different instruments or with the same instrument at different frequencies; association of infrared response spectra of poor quality germanium gamma ray detectors with spectra of detectors fabricated from portions of a good crystal that had been degraded in known ways; and confirmation of the excellent quality and cosmetic appearance of ultrasonic bonds made with aluminum ribbon wire. Work is continuing on measurement of resistivity of semiconductor crystals; study of gold-doped silicon, development of the infrared response technique; evaluation of wire bonds and die attachment; and measurement of thermal properties of semiconductor devices, delay time and related carrier transport properties in junction devices, and noise properties of microwave diodes.

Bullis, W. M.↗