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At least 181 records · Page 10

Cryo-EM and MD infer water-mediated proton transport and autoinhibition mechanisms of V o complex

Rotary vacuolar adenosine triphosphatases (V-ATPases) drive transmembrane proton transport through a Vo proton channel subcomplex. Despite recent high-resolution structures of several rotary ATPases, the dynamic mechanism of proton pumping remains elusive. Here, we determined a 2.7-Å cryo–electron microscopy (cryo-EM) structure of yeast V o proton channel in nanodisc that reveals the location of ordered water molecules along the proton path, details of specific protein-lipid interactions, and the architecture of the membrane scaffold protein. Moreover, we uncover a state of V o that shows the c-ring rotated by ~14°. Molecular dynamics simulations demonstrate that the two rotary states are in thermal equilibrium and depict how the protonation state of essential glutamic acid residues couples water-mediated proton transfer with c-ring rotation. Our cryo-EM models and simulations also rationalize a mechanism for inhibition of passive proton transport as observed for free V o that is generated as a result of V-ATPase regulation by reversible disassembly in vivo.

59 BASIC BIOLOGICAL SCIENCES↗

Theory of the auroral magnetosphere

The aurora has come to be understood as a manifestation of energy transfer and plasma transfer from the solar wind to the magnetosphere. The auroral oval seems to be a mapping of the boundary layer that lies just inside the magnetospheric surface, which consists of the magnetopause and neutral sheet. The auroral oval is consequently a region of reversal for the meridional (r,8) component of the magnetospheric convection electric field and thus a region of strong shear in the plasma drift velocity field. The velocity shear seems to account for the formation of eddies in the auroral "curtain". Moreover, the Kinematical impedance associated with hot auroral plasma perpendicular electric field across a narrow region of latitude to occur without the formation of a large parallel electric field. The signature of the parallel electric field is such as to produce upgoing ion beams and precipitating electron beams in the PM (afternoon-evening) sector of local time, and to account for the polarity of Region-1 currents as a function of local time.

Schulz, M.↗

Chemical Constraints Governing the Origin of Metabolism: The Thermodynamic Landscape of Carbon Group Transformations

The thermodynamics of organic chemistry under mild aqueous conditions was examined in order to begin to understand its influence on the structure and operation of metabolism and its antecedents. Free energies were estimated for four types reactions of biochemical importance carbon-carbon bond cleavage and synthesis, hydrogen transfer between carbon groups, dehydration of alcohol groups, and aldo-keto isomerization. The energies were calculated for mainly aliphatic groups composed of carbon, hydrogen, and oxygen. The energy values showed that (1) when carbon-carbon bond cleavage involves two different types of functional groups, transfer of the shared electron-pair to the more reduced carbon group is energetically favored over transfer to the more oxidized carbon group, and (2) the energy of carbon-carbon bond transformation is strongly dependent on the type of functional group that donates the shared electron-pair during cleavage, and the group that accepts the shared electron-pair during synthesis, and (3) the energetics of C-C bond transformation is determined primarily by the half-reaction energies of the couples: carbonyl/carboxylic acid, carboxylic acid/carbon dioxide, alcohol/carbonyl, and hydrocarbon/alcohol. The energy of hydrogen-transfer between carbon groups was found to depend on the functional group class of both the hydrogen-donor and hydrogen-acceptor. From these and other observations we concluded that the chemistry of the origin of metabolism (and to a lesser degree modem metabolism) is strongly constrained by the (1) limited disproportionation energy of organic substrates that can be dissipated in a few irreversible reactions, (2) the energy-dominance of few half-reaction couples in carbon-carbon bond transformation that establishes whether a chemical reaction is energetically irreversible, reversible or unfeasible, and (3) the dependence of the transformation-energy on the oxidation state of carbon groups (functional group type) which is contingent on prior reactions in the synthetic pathway.

Weber, Arthur L.↗

Enthalpy-uphill exciton dissociation in organic/2D heterostructures promotes free carrier generation

Despite the large binding energy of charge transfer (CT) excitons in type-II organic/2D heterostructures, it has been demonstrated that free carriers can be generated from CT excitons with a long lifetime. Using a model fluorinated zine phthalocyanine (F 8 ZnPc)/monolayer-WS 2 interface, we find that CT excitons can dissociate spontaneously into free carriers despite it being an enthalpy-uphill process. Specifically, it is observed that CT excitons can gain an energy of 250 meV in 50 ps and dissociate into free carriers without any applied electric field. This observation is surprising because excited electrons typically lose energy to the environment and relax to lower energy states. Here, we hypothesize that this abnormal enthalpy-uphill CT exciton dissociation process is driven by entropy gain. Kinetically, the entropic driving force can also reduce the rate for the reverse process – the conversion of free electron–hole pairs back to CT excitons. Hence, this mechanism can potentially explain the very long carrier lifetime observed in organic/2D heterostructures.

36 MATERIALS SCIENCE↗

The effect of wave-particle interactions on the polar wind: Preliminary results

A Monte Carlo simulation was developed in order to study the effects of wave-particle interactions (WPI) on the plasma outflow in the polar wind. The simulation also considered the other mechanisms included in the `classical' polar wind studies such as gravity, the polarization electrostatic field, and the divergence of geomagnetic field lines. Although the plasma consisted of electrons, H(+) and O(+) ions, we emphasized the behavior of H(+) in this preliminary study. The ion distribution function, as well as the profiles of its moments (density, drift velocity, temperatures, etc.) were found for different levels of WPI, that is, for different values of normalized diffusion rates in the velocity space (normalized D(sub perpendicular) H(+)). We found that as the WPI strength increases: (1) the ion drift velocity increases and its density decreases; (2) the perpendicular temperature T(sub perpendicular) (H(+)) increases; (3) the parallel temperature T(sub parallel) (H(+)) first decreases and then increases due to the balance between the parallel adiabatic cooling and the transfer of the energy from the perpendicular to the parallel direction; and (4) the temperature anisotropy ((T(sub parallel) (H(+))/T(sub perpendicular) (H(+)) is reduced and even reversed in some cases. For strong WPI (normalized D(sub perpendicular) (H(+) much greater than 1), the ion distribution function shows weak conic features at high altitudes.

Barakat, A. R.↗

An Adaptable N‐Heterocyclic Carbene Macrocycle Hosting Copper in Three Oxidation States

Abstract A neutral hybrid macrocycle with two trans ‐positioned N‐heterocyclic carbenes (NHCs) and two pyridine donors hosts copper in three oxidation states (+I–+III) in a series of structurally characterized complexes ( 1 – 3 ). Redox interconversion of [LCu] +/2+/3+ is electrochemically (quasi)reversible and occurs at moderate potentials ( E 1/2 =−0.45 V and +0.82 V (vs. Fc/Fc + )). A linear C NHC ‐Cu‐C NHC arrangement and hemilability of the two pyridine donors allows the ligand to adapt to the different stereoelectronic and coordination requirements of Cu I versus Cu II /Cu III . Analytical methods such as NMR, UV/Vis, IR, electron paramagnetic resonance, and Cu Kβ high‐energy‐resolution fluorescence detection X‐ray absorption spectroscopies, as well as DFT calculations, give insight into the geometric and electronic structures of the complexes. The XAS signatures of 1 – 3 are textbook examples for Cu I , Cu II , and Cu III species. Facile 2‐electron interconversion combined with the exposure of two basic pyridine N sites in the reduced Cu I form suggest that [LCu] +/2+/3+ may operate in catalysis via coupled 2 e − /2 H + transfer.

Liu, Yang↗

A Universal Converter for DC, Single-phase AC, and Multi-phase AC Systems (Final Report)

The goal of this project was to develop a new class of universal power converters that utilize the unique properties of WBG switches, including high reverse voltage blocking and fast switching, to achieve superior performance in universal converters. Some of the features of the proposed converter are as follows: 1) Significantly longer lifetime, higher power density, lower costs associated with bill of materials, and lower shipping, installation, and repair costs compared to the existing WBG-based solutions, 2) Very flexible operation for transferring power between any type of source (dc, single-phase ac, or multi-phase ac) and any type of load (dc, single-phase ac, or multi-phase ac) without using large passive components or additional stages/components, even when the instantaneous values of input and output power are not the same, and 3) High performance operation at all power levels. Considering its advantages and wide range of applications, the proposed converter has the potential to create a new paradigm in power electronics. Among numerous applications of this converter are electric vehicles, wind energy systems, PV systems, industrial motor drives, residential variable frequency drive systems, and nanogrid applications. This project focused on the application of this converter for residential PV, residential motor drive, and industrial motor drive applications, and evaluated the performance of this converter for these applications.

42 ENGINEERING↗

Large electron-phonon drag asymmetry and reverse heat flow in the topological semimetal θ-TaN

A broad range of unusual transport behaviors have been discovered in topological semimetals. However, to date, the effect on the thermopower from intrinsic momentum exchange between electrons and phonons has received little attention. Here we report that huge electron-phonon drag enhancements of the thermopower of the to- pological semimetal, θ-phase tantalum nitride (θ-TaN), can occur that persist even up to room temperature. Our first principles calculations also identify a surprising asymmetry in which the large drag-enhanced thermopowers found slightly above the material’s chemical potential disappear just below it. The large thermopower en- hancements result from anomalous drag contributions from high frequency acoustic phonons with unusually small decay rates. The apparent vanishing drag results from (i) the emergence of an exceptionally high electrical conductivity promoted by the steep linear electronic dispersions extending below one of the topological nodal points; (ii) a remarkable cancellation in which momentum transferred from a charge current creates oppositely directed phonon heat currents of nearly equal magnitude, thereby masking the drag contributions. This extraordinary transport behavior is a consequence of an unusual interplay between intrinsic electron and phonon material properties in θ-TaN. Overall, our work gives new insights into the fundamental physical properties of coupled electron-phonon systems and motivates further exploration of drag effects in semimetals.

36 MATERIALS SCIENCE↗

Carbon-Nanotube-Carpet Heat-Transfer Pads

Microscopic thermal-contact pads that include carpet-like arrays of carbon nanotubes have been invented for dissipating heat generated in integrated circuits and similarly sized single electronic components. The need for these or other innovative thermal-contact pads arises because the requisite high thermal conductances cannot be realized by scaling conventional macroscopic thermal-contact pads down to microscopic sizes. Overcoming limitations of conventional thermal-contact materials and components, the carbon-nanotube thermal-contact pads offer the high thermal conductivities needed to accommodate the high local thermal power densities of modern electronic circuits, without need for large clamping pressures, extreme smoothness of surfaces in contact, or gap-filling materials (e.g., thermally conductive greases) to ensure adequate thermal contact. Moreover, unlike some conventional thermal-contact components, these pads are reusable. The figure depicts a typical pad according to the invention, in contact with a rough surface on an electronic component that is to be cooled. Through reversible bending and buckling of carbon nanotubes at asperities on the rough surface, the pad yields sufficiently, under relatively low contact pressure, that thermal contact is distributed to many locations on the surface to be cooled, including valleys where contact would not ordinarily occur in conventional clamping of rigid surfaces. Hence, the effective thermal-contact area is greater than that achievable through scaling down of a macroscopic thermal-contact pad. The extremely high longitudinal thermal conductivities of the carbon nanotubes are utilized to conduct heat away from potential hot spots on the surface to be cooled. The fibers protrude from a layer of a filler material (Cu, Ag, Au, or metal-particle- filled gels), which provides both mechanical support to maintain the carbon nanotubes in alignment and thermal conductivity to enhance the diffusion of concentrated heat from the nanotubes into the larger adjacent volume of a heat sink. The array of carbon nanotubes, the filler material, and the heat sink are parts of a unitary composite structure that is fabricated as follows: 1. Using techniques that have been reported previously, the array of substantially perpendicularly oriented carbon nanotubes is grown on a metal, silicon, or other suitable thermally conductive substrate that is intended to become the heat sink. 2. By means of chemical vapor deposition, physical vapor deposition, plasma deposition, ion sputtering, electrochemical deposition, or casting from a liquid phase, some or all of the interstitial volume between carbon nanotubes is filled with the aforementioned layer of mechanically supporting, thermally conductive material. 3. To cause the carbon nanotubes to protrude the desired length from the filler material, an outer layer of filler is removed by mechanical polishing, chemical mechanical polishing, wet chemical etching, electrochemical etching, or dry plasma etching.

Li, Jun↗

The multichannel i -propyl + O2 reaction system: A model of secondary alkyl radical oxidation

The i-propyl + O2 reaction mechanism has been investigated by definitive quantum chemical methods to establish this system as a benchmark for the combustion of secondary alkyl radicals. Focal point analyses extrapolating to the ab initio limit were performed based on explicit computations with electron correlation treatments through coupled cluster single, double, triple, and quadruple excitations and basis sets up to cc-pV5Z. The rigorous coupled cluster single, double, and triple excitations/cc-pVTZ level of theory was used to fully optimize all reaction species and transition states, thus, removing some substantial flaws in reference geometries existing in the literature. The vital i-propylperoxy radical (MIN1) and its concerted elimination transition state (TS1) were found 34.8 and 4.4 kcal mol−1 below the reactants, respectively. Two β-hydrogen transfer transition states (TS2, TS2′) lie above the reactants by (1.4, 2.5) kcal mol−1 and display large Born–Oppenheimer diagonal corrections indicative of nearby surface crossings. An α-hydrogen transfer transition state (TS5) is discovered 5.7 kcal mol−1 above the reactants that bifurcates into equivalent α-peroxy radical hanging wells (MIN3) prior to a highly exothermic dissociation into acetone + OH. The reverse TS5 → MIN1 intrinsic reaction path also displays fascinating features, including another bifurcation and a conical intersection of potential energy surfaces. An exhaustive conformational search of two hydroperoxypropyl (QOOH) intermediates (MIN2 and MIN3) of the i-propyl + O2 system located nine rotamers within 0.9 kcal mol−1 of the corresponding lowest-energy minima.

Chemistry↗

Surge-Energy and Overvoltage Ruggedness of P-Gate GaN HEMTs

An essential ruggedness of power devices is the capability of safely withstanding the surge energy. The surge ruggedness of the GaN high-electron-mobility transistor (HEMT), a power transistor with no or minimal avalanche capability, has not been fully understood. This article unveils the comprehensive physics associated with the surge-energy withstand process and the failure mechanisms of p-gate GaN HEMTs. Two commercial p-gate GaN HEMTs with Ohmic- and Schottky-type gate contacts are studied. Two circuits are developed to study the device surge ruggedness: an unclamped inductive switching circuit is first used to identify the withstand dynamics and failure mechanisms, and a clamped inductive switching circuit with a controllable parasitic inductance is then designed to mimic the surge energy in converter-like switching events. The p-gate GaN HEMT is found to withstand the surge energy through a resonant energy transfer between the device capacitance and the load/parasitic inductance rather than a resistive energy dissipation as occurred in the avalanche. If the device resonant voltage goes below zero, the device reversely turns on and the inductor is discharged. The device failure occurs at the transient of peak resonant voltage and is limited by the device overvoltage capability rather than the surge energy, dV/dt , or overvoltage duration. Almost no energy is dissipated in the resonant withstand process and the device failure is dominated by an electric field rather than a thermal runaway. Furthermore, these results provide critical understandings on the ruggedness of GaN HEMTs and important references for their qualifications and applications.

42 ENGINEERING↗

Impacts of A‐Site Composition on the Cation Dissolution‐Mediated Surface Restructuring of Layered Nickelate Oxide Electrocatalysts During Alkaline Oxygen Evolution Reaction

The oxygen evolution reaction (OER) is a key anodic counter‐reaction for electrochemical production of fuels and chemicals. It is hindered by sluggish four‐electron transfer kinetics requiring highly oxidative operating potentials to achieve commercially relevant rates. NiFeO x H y electrocatalysts are among the most promising for OER in alkaline electrolytes. The Ni(OH) 2 /NiOOH redox couple has been reported as the active phase in Ni‐based electrocatalysts; however, its activity is often hindered by deactivation arising from the formation of OER‐inactive insulating species. Limited strategies exist for mitigating this deactivation. This study aims to address this by interrogating the evolution of OER active sites as a function of precatalyst composition and structural properties using a series of layered, crystalline Ni‐based Ruddlesden–Popper (RP) oxides (A 2 NiO 4+δ ). In situ evolution of the active NiO x H y surface is probed through Ni‐site OER turnover frequency analysis, and electrochemical impedance spectroscopy coupled with scanning transmission electron microscopy. We show that the stability of layered nickelate oxide electrocatalysts is governed by the dynamic competition between cation dissolution and Ni‐site reversibility, which can be tuned through the A‐site composition of RP oxides. These findings yield insights toward engineering OER oxide precatalysts that optimize the stability of in situ‐generated OER active phases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Reductive Dynamic and Static Excited State Quenching of a Homoleptic Ruthenium Complex Bearing Aldehyde Groups

A new homoleptic Ru polypyridyl complex bearing two aldehyde groups on each bipyridine ligand, [Ru(dab) 3 ](PF 6 ) 2 , where dab is 4,4′-dicarbaldehyde-2,2′-bipyridine, was synthesized, characterized, and utilized for iodide photo-oxidation studies. In acetonitrile (CH 3 CN) solution, the complex displayed an intense metal-to-ligand charge transfer (MLCT) absorbance maximum at 475 nm (ε = 22,000 M –1 cm –1 ) and an infrared (IR) band at 1712 cm –1 assigned to the pendent aldehyde groups. Visible light excitation in air-saturated solution resulted in room temperature photoluminescence (PL) with a maximum at 675 nm, a quantum yield, ϕ PL = 0.048, and an excited state lifetime, τ ο = 440 ns, from which radiative and nonradiative relaxation rate constants were extracted, k r = 9.1 × 10 4 s –1 and knr = 1.8 × 10 6 s –1 . Pulsed visible light excitation yielded transient UV–vis and IR absorption spectra consistent with an MLCT excited state; relaxation occurred with the maintenance of two isosbestic points in the visible region, and a lifetime that agreed with that measured by time-resolved PL. Cyclic voltammetry studies in a CH 3 CN solution with 0.1 M TBAPF 6 electrolyte revealed a quasi-reversible oxidation, E°(Ru III/II ) = +1.25 V vs. Fc +/0 , and three sequential one-electron reductions at −1.10, −1.25, and −1.54 V vs. Fc +/0 . Here, an excited state reduction potential of E°(Ru *2+/+ ) = +0.89 V vs. Fc +/0 was estimated with the Rehm–Weller expression. Titration of tetrabutylammonium iodide, TBAI, into a CD 3 CN solution of [Ru(dab) 3 ](PF 6 ) 2 resulted in significant shifts in the aldehyde H atom and 3,3′-biypridyl resonances that were analyzed with a 1:1 equilibrium model, from which K eq = 460 M –1 was extracted, increasing to 5800 M –1 when the solvent was changed to acetone-d 6 . Iodide titrations resulted in a significant quenching of the [Ru(dab) 3 ] *2+ lifetime and quantum yield in both CH 3 CN and acetone solvents. In CH 3 CN, the quenching was mainly dynamic and well described by the Stern–Volmer model, from which a quenching rate constant, k q , of 4.5 × 10 10 M –1 s –1 and an equilibrium constant, K eq , of 8.3 × 10 3 M –1 were obtained. In acetone, the static quenching pathway by iodide was greatly enhanced, with a K eq of 1.2 × 10 4 M –1 and a higher k q of 9.2 × 10 10 M –1 s –1 .

Aldehydes↗

Highly Anisotropic Drude-Weight-Reduction and Enhanced Linear-Dichroism in van der Waals Weyl Semimetal T d -MoTe 2 with Coherent Interlayer Electronic Transport

Weyl semimetal (WSM) states can be achieved by breaking spatial-inversion symmetry or time reversal symmetry. However, the anisotropy of the energy reduction contributing to the emergence of WSM states has seldom been investigated by experiments. A van der Waals metal MoTe 2 exhibits a type-II WSM phase below the monoclinic-to-orthorhombic-phase-transition temperature T c ~ 250 K. Here, in this work, a combined linearly polarized optical-spectroscopy and electrical-transport study of MoTe 2 is reported at different temperatures. The Drude components in the a-axis, b-axis, and c-axis optical conductivity spectra, together with the metallic out-of-plane and in-plane electrical resistivities, indicate the coherent inter-layer and in-plane charge transports. Moreover, the Drude weight in σ 1a (ω), rather than the Drude weights in σ 1b (ω) and σ 1c (ω), decreases dramatically below T c , which exhibits a highly anisotropic decrease in its Drude weight and thus suggests a strongly anisotropic reduction of the electronic kinetic energy in the WSM phase. Furthermore, below T c , due to the in-plane anisotropic spectral-weight transfer from Drude component to high-energy region, the in-plane inter-band-absorption anisotropy increases remarkably ≈770 meV, and has the largest value (≈0.68) of normalized linear dichroism among the reported type-II WSMs. The work sheds light on seeking new WSMs and developing novel photonic devices based on WSMs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Mild-Annealed Molecular Layer Deposition (MLD) Tincone Thin Film as Photoelectrochemically Stable and Efficient Electron Transport Layer for Si Photocathodes

Metalcone thin films, composed of inorganic–organic hybrids, are synthesized using molecular layer deposition (MLD) through reactions between organometallic precursors (e.g., Sn, Al, and Ti) and organic reactants (e.g., ethylene glycol and glycerol). Despite their unique properties, metalcones exhibit significant vulnerability to water due to their organic components, limiting their potential in electrochemical applications. This study focuses on enhancing the photoelectrochemical stability of tincone thin films in aqueous electrolyte while preserving their hybrid characteristics through mild annealing in air at 250 °C. As-deposited and vacuum-annealed tincone thin films exhibited significant degradation under these conditions, while high-temperature-annealed (500 °C) tincone thin films offered improved stability with a significant decline in charge transfer efficiency. In contrast, mild annealing in air maintained the C–O bond at half level and improved the stability and charge transport without compromising the unique characteristics of tincone. This was confirmed by ellipsometry, X-ray photoelectron spectroscopy (XPS), and Fourier transform infrared spectroscopy (FTIR). Mild-annealed tincone deposited on a lightly doped p-type silicon (p-Si) photocathode produced a 20-fold increase in CO volume compared to high-temperature annealed tincone in a CO 2 -saturated potassium bicarbonate (KHCO 3 ) electrolyte with dispersed graphene oxide–cobalt phthalocyanine (GO-CoPc) under 1 sun illumination at 0.9 V vs reversible hydrogen electrode (RHE), while maintaining the faradaic efficiency for CO and H 2 . These results suggest that mild-annealed tincone thin films hold significant potential as protective charge transport layers on silicon photocathodes for the aqueous CO 2 reduction reaction (CO 2 RR).

Annealing (metallurgy)↗

Catalytic N–H Bond Formation Promoted by a Ruthenium Hydride Complex Bearing a Redox-Active Pyrimidine-Imine Ligand

The synthesis of a piano-stool ruthenium hydride, [(η 5 -C 5 Me 5 )Ru(PmIm)H] (PmIm = (N-(1,3,5-trimethylphenyl)-1-(pyrimidin-2-yl)ethan-1-imine) for the dual purpose of catalytic dihydrogen activation and subsequent hydrogen atom transfer for the formation of weak chemical bonds is described. Introduction of a neutral, potentially redox-active PmIm supporting ligand was designed to eliminate the possibility of deleterious C(sp 2 )–H reductive coupling and elimination that has been identified as a deactivation pathway with related rhodium and iridium catalysts. Treatment of [(η 5 -C 5 Me 5 )RuCl 2 ] n with one equivalent PmIm ligand in the presence of zinc and sodium methoxide resulted in isolation of the diruthenium complex, [(η 5 -C 5 Me 5 )Ru(PmIm)] 2 , arising from C–C bond formation between two PmIm chelates. Addition of H 2 to the ruthenium dimer under both thermal and blue light irradiation conditions furnished the targeted hydride, [(η 5 -C 5 Me 5 )Ru(PmIm)H] which has a relatively weak DFT-calculated Ru–H bond dissociation free energy (BDFE) of 47.9 kcal/mol. Addition of TEMPO to [(η 5 -C 5 Me 5 )Ru(PmIm)H] generated the 17-electron metalloradical, [(η 5 -C 5 Me 5 )Ru(PmIm)], which was characterized by EPR spectroscopy. The C–C bond forming process was reversible as irradiation of [(η 5 -C 5 Me 5 )Ru(PmIm)] 2 generated [(η 5 -C 5 Me 5 )Ru(PmIm)H] and a piano-stool ruthenium complex containing an enamide ligand derived from H-atom ab-straction from the PmIm chelate. Equilibration studies were used to establish an experimental estimate of the effective Ru–H BDFE and a value of 50.8 kcal/mol was obtained, in agreement with the observed loss of H 2 and the DFT-computed value. Here, the ruthenium hydride was an effective catalyst for the thermal catalytic hydrogenation of TEMPO, acridine and a cobalt-imido complex and for the selective reduction of azobenzene to diphenylhydrazine using H 2 as the terminal reductant, highlighting the role of this complex is catalytic weak bond formation using H 2 as the stoichiometric reductant.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA Tech Briefs, November 1995

The contents include: 1) Mission Accomplished; 2) Resource Report: Marshall Space Flight Center; 3) NASA 1995 Software of the Year Award; 4) Microbolometers Based on Epitaxial YBa2Cu3O(sub 7-x) Thin Films; 5) Garnet Random-Access Memory; 6) Fabrication of SNS Weak Links on SOS Substrates; 7) High-Voltage MOSFET Switching Circuit; 8) Asymmetric Switching for a PWM H-Bridge Power Circuit; 9) Better Ohmic Contacts for InP Semiconductor Devices; 10) Low-Bandgap Thermovoltaic Materials and Devices; 11) Digital Frequency-Differencing Circuit; 12) Imaging Magnetometer; 13) Computer-Assisted Monitoring of a Complex System; 14) Buffered Telemetry Demodulator; 15) Compact Multifunction Inspection Head; 16) Optical Detection of Fractures in Ceramic Diaphragms; 17) Eddy-Current Detection of Cracks in Reinforced Carbon/Carbon; 18) Apparent Thermal Conductivity of Multilayer Insulation; 19) Optimizing Misch-Metal Compositions in Metal Hydride Anodes; 20) Device for Sampling Surface Contamination; 21) Probabilistic Failure Assessment for Fatigue; 22) Probabilistic Fatigue and Flaw-Propagation Analysis; 23) Windows Program for Driving the TDU-850 Printer; 24) Subband/Transform MATLAB Functions for Processing Images; 25) Computing Equilibrium Chemical Compositions; 26) Program Processes Thermocouple Readings; 27) ICAN-Second-Generation Integrated Composite Analyzer; 28) Integrated Composite Analyzer with Damping Capabilities; 29) Computing Efficiency of Transfer of Microwave Power; 30) Program Calculates Power Demands of Electronic Designs; 31) Cost-Estimation Program; 32) Program Estimates Areas Required by Electronic Designs; 33) Program to Balance Mapped Turbopump Assemblies; 34) BiblioTech; 35) Controlling Mirror Tilt With a Bimorph Actuator; 36) Burst-Disk Device Simulates Effect of Pyrotechnic Device; 37) Bearing-Mounting Concept Accommodates Thermal Expansion; 38) Parallel-Plate Acoustic Absorbers for Hot Environments; 39) Adjustable-Length Strut Withstands Large Cyclic Loads; 40) Tool Indicates Contact Angles in Bearing Raceways; 41) Gravity Slides With Magnetic Braking; 42) High-Torque, Lightweight, Pneumatically Driven Wrench for Small Spaces; 43) Device for Testing Compatibility of an O-Ring; 44) Magnetic Heat Pump Containing Flow Diverters; 45) Variable-Tilt Helicopter Rotor Mast; 46) "Beach-Ball" Robotic Rovers; 47) Apparatus Would Measure Temperatures of Ball Bearings; 48) Flexible Borescope for Inspecting Ducts; 49) Texturing Copper To Reduce Secondary Emission of Electrons; 50) Automated Laser Cutting in Three Dimensions; 51) Algorithm Helps Monitor Engine Operation; 52) Flexible Revision of Data-Processing Communications; 53) Software for Managing the Use of Land; 54) Thermal Strap Increases Cryocooling Efficiency; 55) Reversible Nut With Engagement Indication; 56) Control Algorithms for Kinematically Redundant Manipulators; 57) Computed Hydrogen-Flow Splits in a Rocket Engine; 58) Pressure and Thermal Modeling of Rocket Launches; 59) Field of View of a Spacecraft Antenna: Analysis and Software; 60) Digital Controller for Laser-Beam-Steering Subsystem; 61) More About Beam-Steering Subsystem for Laser Communication; 62) Digital Controller for Laser-Beam-Steering Subsystem: Part 2; 63) Interface Circuit Board for Space-Shuttle Communications; 64) Automated Planning of Spacecraft Telecommunications; 65) Artifacts of Spectral Analysis of Instrument Readings; 66) Neural-Network Controller for Vibration Suppression; 67) Adaptive Finite-Element Computation in Fracture Mechanics; 68) Attitude Control for the Cassini Spacecraft; 69) Analytical Model for Fluid Dynamics in a Microgravity Environment; 70) Study of Rocket-Engine Joints Bonded by NVCU/NARloy-Z; 71) Improved Silicon Nitride for Advanced Heat Engines; 72) Parameters for Welding Aluminum/Lithium Alloys; 73) Lightweight Composite Intertank Structure; 74) Foil Patches Seal Small Vacuum Leaks; 75) Data Base on Cables and Connectors; 76) Effect of Clock Mode on Radiation Hardnessf an ADC; and 77) Fault-Tolerant Control for a Robotic Inspection System.

Source record↗