Reduced Dielectric Screening and Enhanced Energy Transfer in Single- and Few-Layer MoS2
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solar (photovoltaic), solid state lighting, photos↗
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Results for “Transfer”
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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Importance of proton-coupled electron transfer in cathodic regeneration of organic hydrides
Electrochemical regeneration of organic hydrides is often hindered by the rapid dimerization of organic radicals produced as the first intermediates of these electrochemical transformations. Here, we utilize proton-coupled electron transfer to outcompete the undesired dimerization and achieve successful hydride regenerations of two groups of organic hydrides – acridines and benzimidazoles. An analysis of the critical factors that control the regeneration pathways of organic hydrides is demonstrated in this report.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Mitigation of cross-beam energy transfer: Implication of two-state focal zooming on OMEGA
Cross-beam energy transfer (CBET) during OMEGA low-adiabat cryogenic experiments reduces the hydrodynamic efficiency by ∼35%, which lowers the calculated one-dimensional (1-D) yield by a factor of 7. CBET can be mitigated by reducing the diameter of the laser beams relative to the target diameter. Reducing the diameter of the laser beams by 30%, after a sufficient conduction zone has been generated (two-state zooming), is predicted to maintain low-mode uniformity while recovering 90% of the kinetic energy lost to CBET. A radially varying phase plate is proposed to implement two-state zooming on OMEGA. A beam propagating through the central half-diameter of the phase plate will produce a large spot, while a beam propagating through the outer annular region of the phase plate will produce a narrower spot. To generate the required two-state near-field laser-beam profile, a picket driver with smoothing by spectral dispersion (SSD) would pass through an apodizer, forming a beam of half the standard diameter. A second main-pulse driver would co-propagate without SSD through its own apodizer, forming a full-diameter annular beam. Hydrodynamic simulations, using the designed laser spots produced by the proposed zooming scheme on OMEGA, show that implementing zooming will increase the implosion velocity by 25% resulting in a 4.5× increase in the 1-D neutron yield. Demonstrating zooming on OMEGA would validate a viable direct-drive CBET mitigation scheme and help establish a pathway to hydrodynamically equivalent direct-drive–ignition implosions by increasing the ablation pressure (1.6×), which will allow for more stable implosions at ignition-relevant velocities.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Water network-mediated, electron-induced proton transfer in [C{sub 5}H{sub 5}N ⋅ (H{sub 2}O){sub n}]{sup −} clusters
The role of proton-assisted charge accommodation in electron capture by a heterocyclic electron scavenger is investigated through theoretical analysis of the vibrational spectra of cold, gas phase [Py ⋅ (H{sub 2}O){sub n=3−5}]{sup −} clusters. These radical anions are formed when an excess electron is attached to water clusters containing a single pyridine (Py) molecule in a supersonic jet ion source. Under these conditions, the cluster ion distribution starts promptly at n = 3, and the photoelectron spectra, combined with vibrational predissociation spectra of the Ar-tagged anions, establish that for n > 3, these species are best described as hydrated hydroxide ions with the neutral pyridinium radical, PyH{sup (0)}, occupying one of the primary solvation sites of the OH{sup −}. The n = 3 cluster appears to be a special case where charge localization on Py and hydroxide is nearly isoenergetic, and the nature of this species is explored with ab initio molecular dynamics calculations of the trajectories that start from metastable arrangements of the anion based on a diffuse, essentially dipole-bound electron. These calculations indicate that the reaction proceeds via a relatively slow rearrangement of the water network to create a favorable hydration configuration around the water molecule that eventually donates a proton to the Py nitrogen atom to yield the product hydroxide ion. The correlation between the degree of excess charge localization and the evolving shape of the water network revealed by this approach thus provides a microscopic picture of the “solvent coordinate” at the heart of a prototypical proton-coupled electron transfer reaction.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Vehicular integration of wireless power transfer systems and hardware interoperability case studies
Several wireless charging methods are under development or available as an aftermarket option in the light-duty automotive market. However, there are not a sufficient number of studies detailing the vehicle integration methods, particularly a complete vehicle integration with higher power levels. This paper presents the design, development, implementation, and vehicle integration of wireless power transfer (WPT)-based electric vehicle (EV) charging systems for various test vehicles. Before having the standards effective, it is expected that WPT technology first will be integrated as an aftermarket retrofitting approach. Inclusion of this technology on production vehicles is contingent upon the release of the international standards. The power stages of the system are introduced with the design specifications and control systems including the active front-end rectifier with power factor correction, high frequency power inverter, high frequency isolation transformer, coupling coils, vehicle side full-bridge rectifier and filter, and the vehicle battery. The operating principles of the control, and communications, systems are presented. Aftermarket conversion approaches including the WPT on-board charger (OBC) integration, WPT CHAdeMO integration, and WPT direct battery connection scenarios are described. Finally, the experiments are carried out using the integrated vehicles and the results obtained to demonstrate the system performance including the stage-by-stage efficiencies.
25 ENERGY STORAGE↗
Effect of Anion Size on Conductivity and Transference Number of Perfluoroether Electrolytes with Lithium Salts
Mixtures of perfluoropolyethers (PFPE) and lithium salts with fluorinated anions are a new class of electrolytes for lithium batteries. Unlike conventional electrolytes wherein electron-donating oxygen groups interact primarily with the lithium cations, the properties of PFPE-based electrolytes appear to be dependent on interactions between the fluorinated anions and the fluorinated backbones. We study these interactions by examining a family of lithium salts wherein the size of the fluorinated anion is systematically increased: lithium bis(fluorosulfonyl)imide (LiFSI), bis(trifluoromethanesulfonyl)imide (LiTFSI) salts and lithium bis(pentafluoroethanesulfonyl)imide (LiBETI). Two short chain perfluoroethers (PFE), one with three repeat units, C6-DMC, and another with four repeat units, C8-DMC were studied; both systems have dimethyl carbonate end groups.We find that LiFSI provides the highest conductivity in both C6-DMC and C8-DMC. These systems also present the lowest interfacial resistance against lithium metal electrodes. The steady-state transference number (t + ss ) was above 0.6 for all of the electrolytes and was an increasing function of anion size. The product of conductivity and the steady-state transference number, a convenient measure of the efficacy of the electrolytes for lithium battery applications, exhibited a maximum at about 20 wt% salt in all electrolytes. Finally, amongst the systems studied, LiFSI/PFE mixtures were the most efficacious electrolytes.
25 ENERGY STORAGE↗
Heat Transfer Coefficient from the Sheet-Piped Light-Absorbing Panels of the Flat-Plate Solar Water-Heating Collectors to the Heat Transfer Fluid in Their Heat-Removing Channels
It has been proposed to introduce a new parameter into the practice of the heat calculation and testing of the flat-plate solar water-heating collectors (FSWHCs)—the coefficient of heat transfer from the light-absorbing panel (LAP) to the heat transfer fluid in its internal heat-exchange channels (HECs) reduced to the unit area of the frontal surface of their cases. The mechanism of the formation of this parameter is studied, the design expression is derived, and a practical example of the calculation to define its value is performed. The structures of the flowing LAPs of a sheet-piped thin parallelepiped form are selected as the objects of the investigation. The reliability of the results of the investigations is proved by comparing the values of the specific (relative to the area unit of the frontal surface of the case) heating efficiency of the collector obtained based on the various formulas.
14 SOLAR ENERGY↗
Spherical Radiative Transfer in C++ (SRTC++): A Parallel Monte Carlo Radiative Transfer Model for Titan
We present a new computer program, SRTC++, to solve spatial problems associated with explorations of Saturn’s moon Titan. The program implements a three-dimensional structure well-suited to addressing shortcomings arising from plane-parallel radiative transfer approaches. SRTC++'s design uses parallel processing in an object-oriented, compiled computer language (C++) leading to a flexible and fast architecture. We validate SRTC++ using analytical results, semianalytical radiative transfer expressions, and an existing Titan plane-parallel model. SRTC++ complements existing approaches, addressing spatial problems like near-limb and near-terminator geometries, non-Lambertian surface phase functions (including specular reflections), and surface albedo nonuniformity.
97 MATHEMATICS AND COMPUTING↗
Mass and energy transfer across the Earth's magnetopause caused by vortex-induced reconnection: Mass and energy transfer by K-H vortex
When the interplanetary magnetic field (IMF) is strongly northward, a boundary layer that contains a considerable amount of plasma of magnetosheath origin is often observed along and earthward of the low-latitude magnetopause. Such a pre-existing boundary layer, with a higher density than observed in the adjacent magnetosphere, reduces the local Alfvén speed and allows the Kelvin-Helmholtz instability (KHI) to grow more strongly. We employ a three-dimensional fully kinetic simulation to model an event observed by the Magnetospheric Multiscale (MMS) mission in which the spacecraft detected substantial KH waves between a pre-existing boundary layer and the magnetosheath during strong northward IMF. Initial results of this simulation [Nakamura et al., 2017] have successfully demonstrated ion-scale signatures of magnetic reconnection induced by the non-linearly developed KH vortex, which are quantitatively consistent with MMS observations. Furthermore, we quantify the simulated mass and energy transfer processes driven by this vortex-induced reconnection (VIR) and show that during this particular MMS event (i) mass enters a new mixing layer formed by the VIR more efficiently from the pre-existing boundary layer side than from the magnetosheath side, (ii) mixed plasmas within the new mixing layer convect tailward along the magnetopause at more than half the magnetosheath flow speed, and (iii) energy dissipation in localized VIR dissipation regions results in a strong parallel electron heating within the mixing layer. Finally, the quantitative agreements between the simulation and MMS observations allow new predictions that elucidate how the mass and energy transfer processes occur near the magnetopause during strong northward IMF.
58 GEOSCIENCES↗
H 2 Oxidation Electrocatalysis Enabled by Metal-to-Metal Hydrogen Atom Transfer: A Homolytic Approach to a Heterolytic Reaction
Oxidation of H2 is used in the conversion of the chemical energy of the H-H bond into electricity. Electrocatalytic oxidation of H2 typically requires that one metal bind H2, heterolytically cleave the H2, and then undergo two oxidation and two deprotonation steps. We discovered that electrocatalytic oxidation of H2 is catalyzed by a cooperative system using Cp*Cr(CO)3H and [Fe(diphosphine)(CO)3]+. A key step of the proposed mechanism is a rarely observed metal-to-metal hydrogen atom transfer from the Cr-H complex to the Fe, forming a Fe-H bond that is deprotonated and then oxidized electrochemically. The “division of chemical labor” between Cr and Fe features a reaction of the Cr complex with H2, while the Fe complex reacts at the electrode. This cooperative catalysis system does not require that either metal heterolytically cleave H2, and thereby provides a very unusual example of a homolytic reaction being a key step in a molecular electrocatalytic process.
oxidation, electrocatalysis, hydrogen↗
Electrochemical Oxidation of HMF via Hydrogen Atom Transfer and Hydride Transfer on NiOOH and the Impact of NiOOH Composition
Abstract A great deal of attention has been directed toward studying the electrochemical oxidation of 5‐hydroxymethylfurfural (HMF), a molecule that can be obtained from biomass‐derived cellulose and hemicellulose, to 2,5‐furandicarboxylic acid (FDCA), a molecule that can replace the petroleum‐derived terephthalic acid in the production of widely used polymers such as polyethylene terephthalate. NiOOH is one of the best and most well studied electrocatalysts for achieving this transformation; however, the mechanism by which it does so is still poorly understood. This study quantitatively examines how two different dehydrogenation mechanisms on NiOOH impact the oxidation of HMF and its oxidation intermediates on the way to FDCA. The first mechanism is a well‐established indirect oxidation mechanism featuring chemical hydrogen atom transfer to Ni 3+ sites while the second mechanism is a newly discovered potential‐dependent (PD) oxidation mechanism involving electrochemically induced hydride transfer to Ni 4+ sites. The composition of NiOOH was also tuned to shift the potential of the Ni(OH) 2 /NiOOH redox couple and to investigate how this affects the rates of indirect and PD oxidation as well as intermediate accumulation during a constant potential electrolysis. The new insights gained by this study will allow for the rational design of more efficient electrochemical dehydrogenation catalysts.
2,5-furandicarboxylic acid↗
Triphenylene‐Derived Electron Acceptors and Donors on Ag(111): Formation of Intermolecular Charge‐Transfer Complexes with Common Unoccupied Molecular States
Abstract Over the past years, ultrathin films consisting of electron donating and accepting molecules have attracted increasing attention due to their potential usage in optoelectronic devices. Key parameters for understanding and tuning their performance are intermolecular and molecule–substrate interactions. Here, the formation of a monolayer thick blend of triphenylene‐based organic donor and acceptor molecules from 2,3,6,7,10,11‐hexamethoxytriphenylene (HAT) and 1,4,5,8,9,12‐hexaazatriphenylenehexacarbonitrile (HATCN), respectively, on a silver (111) surface is reported. Scanning tunneling microscopy and spectroscopy, valence and core level photoelectron spectroscopy, as well as low‐energy electron diffraction measurements are used, complemented by density functional theory calculations, to investigate both the electronic and structural properties of the homomolecular as well as the intermixed layers. The donor molecules are weakly interacting with the Ag(111) surface, while the acceptor molecules show a strong interaction with the substrate leading to charge transfer and substantial buckling of the top silver layer and of the adsorbates. Upon mixing acceptor and donor molecules, strong hybridization occurs between the two different molecules leading to the emergence of a common unoccupied molecular orbital located at both the donor and acceptor molecules. The donor acceptor blend studied here is, therefore, a compelling candidate for organic electronics based on self‐assembled charge‐transfer complexes.
Müller, Kathrin↗
2,2′‐Bis(monoacylglycero) PO 4 (BMP), but Not 3,1′‐BMP, Increases Membrane Curvature Stress to Enhance α‐Tocopherol Transfer Protein Binding to Membranes
Abstract Previous work revealed that α‐tocopherol transfer protein (α‐TTP) co‐localizes with bis(monoacylglycero)phosphate (BMP) in late endosomes. BMP is a lipid unique to late endosomes and is believed to induce membrane curvature and support the multivesicular nature of this organelle. We examined the effect of BMP on α‐TTP binding to membranes using dual polarization interferometry and vesicle‐binding assay. α‐TTP binding to membranes is increased by the curvature‐inducing lipid BMP. α‐TTP binds to membranes with greater affinity when they contain the 2,2′‐BMP versus 3,1′‐BMP isomers.
Baptist, Matilda↗
First principles design of a core bioenergetic transmembrane electron-transfer protein
Here we describe the design, Escherichia coli expression and characterization of a simplified, adaptable and functionally transparent single chain 4-α-helix transmembrane protein frame that binds multiple heme and light activatable porphyrins. Such man-made cofactor-binding oxidoreductases, designed from first principles with minimal reference to natural protein sequences, are known as maquettes. This design is an adaptable frame aiming to uncover core engineering principles governing bioenergetic transmembrane electron-transfer function and recapitulate protein archetypes proposed to represent the origins of photosynthesis. This article is part of a Special Issue entitled Biodesign for Bioenergetics — the design and engineering of electronic transfer cofactors, proteins and protein networks, edited by Ronald L. Koder and J.L. Ross Anderson.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Transient heat and mass transfer analysis in a porous ceria structure of a novel solar redox reactor
Not Available
Bala Chandran, Rohini↗
Heat transfer enhancement in a lithium-ion cell through improved material-level thermal transport
We report that while Li-ion cells offer excellent electrochemical performance for several applications including electric vehicles, they also exhibit poor thermal transport characteristics, resulting in reduced performance, overheating and thermal runaway. Inadequate heat removal from Li-ion cells originates from poor thermal conductivity within the cell. This paper identifies the rate-limiting material-level process that dominates overall thermal conduction in a Li-ion cell. Results indicate that thermal characteristics of a Li-ion cell are largely dominated by heat transfer across the cathode-separator interface rather than heat transfer through the materials themselves. This interfacial thermal resistance contributes around 88% of total thermal resistance in the cell. Measured value of interfacial resistance is close to that obtained from theoretical models that account for weak adhesion and large acoustic mismatch between cathode and separator. Further, to address this problem, an amine-based chemical bridging of the interface is carried out. This is shown to result in in four-times lower interfacial thermal resistance without deterioration in electrochemical performance, thereby increasing effective thermal conductivity by three-fold. This improvement is expected to reduce peak temperature rise during operation by 60%. Finally, by identifying and addressing the material-level root cause of poor thermal transport in Li-ion cells, this work may contribute towards improved thermal performance of Li-ion cells.
36 MATERIALS SCIENCE↗
Belowground interplant carbon transfer promotes soil carbon gains in diverse plant communities
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Kravchenko, A.N.↗