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At least 757 records · Page 42

Sn Nanoparticles Encapsulated in 3D Nanoporous Carbon Derived from a Metal–Organic Framework for Anode Material in Lithium-Ion Batteries

Three-dimensional nanoporous carbon frameworks encapsulated Sn nanoparticles (Sn@3D-NPC) are developed by a facile method as an improved lithium ion battery anode. The Sn@3D-NPC delivers a reversible capacity of 740 mAh g –1 after 200 cycles at a current density of 200 mA g –1 , corresponding to a capacity retention of 85% (against the second capacity) and high rate capability (300 mAh g –1 at 5 A g –1 ). Compared to the Sn nanoparticles (SnNPs), such improvements are attributed to the 3D porous and conductive framework. The whole structure can provide not only the high electrical conductivity that facilities the electron transfer but also the elasticity that will suppress the volume expansion and aggregation of SnNPs during the charge and discharge process. Lastly, this work opens a new application of metal–organic frameworks in energy storage.

36 MATERIALS SCIENCE↗

Synthesis and characterization of ZnO thin films

Zinc oxide (ZnO) Thin films were deposited on glass substrate using Spin coating method. Zinc acetate dehydrate, Carbinol and Mono-ethanolamine were used as the precursor, solvent and stabilizer respectively to prepare ZnO Thin-films. The molar ratio of Monoethanolamine to Zinc acetate was maintained as approximately 1. The thickness of the films was determined by Interference technique. The optical properties of the films were studied by UV Vis-Spectrophotometer. From transmittance and absorbance curve, the energy band gap of ZnO is found out. Electrical Conductivity measurements of ZnO are carried out by two probe method and Activation energy for the electrical conductivity of ZnO are found out. The crystal structure and orientation of the films were analyzed by XRD. The XRD patterns show that the ZnO films are polycrystalline with wurtzite hexagonal structure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Catalytically mediated epitaxy of 3D semiconductors on van der Waals substrates

The formation of well-controlled interfaces between materials of different structure and bonding is a key requirement when developing new devices and functionalities. Of particular importance are epitaxial or low defect density interfaces between two-dimensional materials and three-dimensional semiconductors or metals, where an interfacial structure influences electrical conductivity in field effect and optoelectronic devices, charge transfer for spintronics and catalysis, and proximity-induced superconductivity. Epitaxy and hence well-defined interfacial structure has been demonstrated for several metals on van der Waals-bonded substrates. Semiconductor epitaxy on such substrates has been harder to control, for example during chemical vapor deposition of Si and Ge on graphene. Here, we demonstrate a catalytically mediated het-eroepitaxy approach to achieve epitaxial growth of three-dimensional semiconductors such as Ge and Si on van der Waals-bonded materials such as graphene and hexagonal boron nitride. Epitaxy is "transferred" from the substrate to semiconductor nanocrystals via solid metal nano-crystals that readily align on the substrate and catalyze the formation of aligned nuclei of the semiconductor. In situ transmission electron microscopy allows us to elucidate the reaction pathway for this process and to show that solid metal nanocrystals can catalyze semiconductor growth at a significantly lower temperature than direct chemical vapor deposition or deposition mediated by liquid catalyst droplets. We discuss Ge and Si growth as a model system to explore the details of such hetero-interfacing and its applicability to a broader range of materials.

36 MATERIALS SCIENCE↗

The split-cross-bridge resistor for measuring the sheet resistance, linewidth, and line spacing of conducting layers

A new test structure was developed for evaluating the line spacing between conductors on the same layer using an electrical measurement technique. This compact structure can also be used to measure the sheet resistance, linewidth, and line pitch of the conducting layer. Using an integrated-circuit fabrication process, this structure was fabricated in diffused polycrystalline silicon and metal layers and measured optically and electrically. For the techniques used, the optical measurements were typically one-quarter micron greater than the electrical measurements. Most electrically measured line pitch values were within 2 percent of the designed value. A small difference between the measured and designed line pitch is used to validate sheet resistance, linewidth, and line spacing values.

Buehler, M. G.↗

Signatures of van Hove singularities in the anisotropic in-plane optical conductivity of the topological semimetal Nb 3 ⁢SiTe 6

In this work, we present a temperature-dependent infrared spectroscopy study on the layered topological semimetal Nb 3 ⁢SiTe 6 combined with density-functional theory calculations of the electronic band structure and optical conductivity. Our results reveal an anisotropic behavior of the in-plane (ac-plane) optical conductivity, with three pronounced excitations located at around 0.15, 0.28, and 0.41 eV for the polarization of the incident radiation along the c axis. These excitations are well reproduced in the theoretical spectra. Based on the ab initio results, the excitations around 0.15 and 0.28 eV are interpreted as fingerprints of van Hove singularities in the electronic band structure and compared to the findings for other topological semimetals.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Titan's upper atmosphere - Structure and ultraviolet emissions

An analysis is conducted of the composition and thermal structure of Titan's upper atmosphere, and the relative importance of airglow-excitation processes, on the basis of Voyager 1 UV spectrometer data for solar occultation and airglow. Attention is also given to the Smith et al. (1982) optical depth profiles for the evening terminator, entrance occultation, and asymptotic temperature. A magnetospheric power input figure is obtained that is 25 times smaller than the initial estimate by Strobel and Shemansky (1982).

Strobel, Darrell F.↗

Role of Solution Structure in Solid Electrolyte Interphase Formation on Graphite with LiPF 6 in Propylene Carbonate

An investigation of the interrelationship of cycling performance, solution structure, and electrode surface film structure has been conducted for electrolytes composed of different concentrations of LiPF6 in propylene carbonate (PC) with a binderfree (BF) graphite electrode. Varying the concentration of LiPF6 changes the solution structure, altering the predominant mechanism of electrolyte reduction at the electrode interface. The change in mechanism results in a change in the structure of the solid electrolyte interface (SEI) and the reversible cycling of the cell. At low concentrations of LiPF6 in PC (1.2 M), electrochemical cycling and cyclic voltammetry (CV) of BF graphite electrodes reveal continuous electrolyte reduction and no lithiation/delithiation of the graphite. The solution structure is dominated by solvent-separated ion pairs (Li+(PC)4// PF6 -), and the primary reduction product of the electrolyte is lithium propylene dicarbonate (LPDC). At high concentrations of LiPF6 in PC (3.0-3.5 M), electrochemical cycling and CV reveal reversible lithiation/delithiation of the graphite electrode. The solution structure is dominated by contact ion pairs (Li+(PC)3PF6 -), and the primary reduction product of the electrolyte is LiF.

36 MATERIALS SCIENCE↗

Quantum resonance of nanometre-scale metal-ZnO-metal structure and its application in sensors

Analysis of the thickness dependence of the potential profile of the metal-ZnO-metal (MZM) structure has been conducted based on Poisson’s equation and Schottky theory. Quantum scattering theory is then used to calculate the transmission probability of an electron passing through the MZM structure. Results show that the quantum resonance (QR) effect becomes pronounced when the thickness of the ZnO film reaches to around 6 nm. Strain induced piezopotentials are considered as biases to the MZM, which significantly changes the QR according to the analysis. This effect can be potentially employed as nanoscale strain sensors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Concepts for improving the damage tolerance of composite compression panels

The residual strength of specimens with damage and the sensitivity to damage while subjected to an applied inplane compression load were determined for flatplate specimens and blade-stiffened panels. The results suggest that matrix materials that fail by delamination have the lowest damage tolerance capability. Alternate matrix materials or laminates which are transversely reinforced suppress the delamination mode of failure and change the failure mode to transverse shear crippling which occurs at a higher strain value. Several damage-tolerant blade-stiffened panel design concepts are evaluated. Structural efficiency studies conducted show only small mass penalties may result from incorporating these damage-tolerant features in panel design. The implication of test results on the design of aircraft structures was examined with respect to FAR requirements.

Rhodes, M. D.↗

Extremely High Peak Power Obtained at 29 GHZ Microwave Pulse Generation

The paper presents research results on enhancing the peak power of microwave pulses with sub- and nanosecond length using a backward-wave oscillator (BWO) operating at 29 GHz frequency and possessing a reproducible phase structure. Experiments are conducted in two modes on a high-current electron accelerator with the required electron beam power. In the first (superradiation) mode, which utilizes the elongated slow-wave structure, the BWO peak power is 3 GW at 180 ns pulse duration (full width at halfmaximum, FWHM). In the second (quasi-stationary) mode, the BWO peak power reaches 600 MW at ~2 ns pulse duration (FWHM). The phase spread from pulse to pulse can vary from units to several tens of percent in a nanosecond pulse mode. The experiments do not show any influence of microwave breakdown on the BWO power generation and radiation pulse duration.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Significant charge transport effects due to subtle molecular changes in nitroxide radical single crystals

Radical-containing materials have received renewed interest due to their charge-conducting properties. However, most work focuses on macromolecules, while less attention has been paid to radical-containing small molecules. Here, we quantify the electrical conductivity in two organic radical single crystals and demonstrate that a subtle change in atomic connectivity drastically alters the macroscopic electronic properties of the materials. One radical crystal has an electrical conductivity of 3S m –1 , which is the among the highest values for nonconjugated radical conductors over a 1 μm scale. However, the other radical crystal has a 1,000-fold lower conductivity, despite their extremely similar molecular structures. The temperature-dependent conductivity follows the variable range hopping mechanism for both radical crystals, and the difference in effective charge mobility is the reason for the conductivity difference. These results present a clear picture of the design rules and charge transport mechanism for radical-based small-molecule materials.

36 MATERIALS SCIENCE↗

Proton Conductivity and Thermal Properties of Ba(H{sub 2}PO{sub 4}){sub 2}

We have grown single crystals of barium dihydrogen phosphate and studied its thermal transformations during heating to 500°C and its electrotransport properties. Ba(H{sub 2}PO{sub 4}){sub 2} (Pccn) has been shown to undergo no phase transitions up to its dehydration temperature. The thermal decomposition of Ba(H{sub 2}PO{sub 4}){sub 2}, accompanied by dehydration, involves two steps, with maximum rates at ~265 and 370°C, and results in the formation of barium dihydrogen pyrophosphate and barium metaphosphate, respectively. The total enthalpy of the endothermic dehydration events is–244.6 J/g. Using impedance spectroscopy, we have studied in detail the proton conductivity of polycrystalline and single-crystal Ba(H{sub 2}PO{sub 4}){sub 2} samples in a controlled atmosphere. Adsorbed water has been shown to have a significant effect on the proton conductivity of Ba(H{sub 2}PO{sub 4}){sub 2} up to 130°C. The proton conductivity of the Ba(H{sub 2}PO{sub 4}){sub 2} single crystals has been shown to be anisotropic. The conductivity anisotropy correlates with specific structural features of the salt. Higher conductivity values, 3 × 10{sup –9} to 2 × 10{sup –7} S/cm in the range 60–160°C, have been observed in the [100] crystallographic direction, exceeding the conductivity along [010] by an order of magnitude. The activation energy for proton conduction is 0.80 eV.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Apparatus and method for electrochemical modification of liquids

An apparatus for electrochemical modification of liquid streams employing an electrolytic cell which includes an anode compartment defined by an anode structure where oxidation is effected, containing a liquid electrolyte anolyte, and a cathode compartment defined by a cathode structure where reduction is effected containing a liquid electrolyte catholyte. In addition, the electrolytic cell includes at least one additional compartment arranged at least partially between the anode compartment and the cathode compartment and separated from the anode compartment and the cathode compartment by a separator structure arranged to supports ionic conduction of current between the anode structure and the cathode structure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Correlating electronic properties with M-site composition in solid solution Ti y Nb 2- y CT x MXenes

High electrical conductivity is desired in MXene films for applications such as electromagnetic interference shielding, antennas, and electrodes for electrochemical energy storage and conversion applications. Due to the acid etching-based synthesis method, it is challenging to deconvolute the relative importance that factors such as chemical composition and flake size contribute to resistivity. To understand the intrinsic and extrinsic contributions to the macroscopic electronic transport properties, a systematic study controlling compositional and structural parameters was conducted with eight solid solutions in the Ti y Nb 2-y CT x system. Here, in particular, we investigated the different roles played by metal (M)-site composition, flake size, and d-spacing on macroscopic transport. Hard x-ray photoemission spectroscopy and spectroscopic ellipsometry revealed changes to electronic structure induced by the M-site alloying. Consistent with the spectroscopic results, the low- and room-temperature conductivities and effective carrier mobility are correlated with the Ti content, while the impact of flake size and d-spacing is most prominent in low-temperature transport. The results provide guidance for designing and engineering MXenes with a wide range of conductivities.

36 MATERIALS SCIENCE↗

Nanoscale imaging of He-ion irradiation effects on amorphous TaO x toward electroforming-free neuromorphic functions

Resistive switching in thin films has been widely studied in a broad range of materials. Yet, the mechanisms behind electroresistive switching have been persistently difficult to decipher and control, in part due to their non-equilibrium nature. Here, we demonstrate new experimental approaches that can probe resistive switching phenomena, utilizing amorphous TaO x as a model material system. Specifically, we applied scanning microwave impedance microscopy and cathodoluminescence (CL) microscopy as direct probes of conductance and electronic structure, respectively. These methods provide direct evidence of the electronic state of TaO x despite its amorphous nature. For example, CL identifies characteristic impurity levels in TaO x , in agreement with first principles calculations. We applied these methods to investigate He-ion-beam irradiation as a path to activate conductivity of materials and enable electroforming-free control over resistive switching. However, we find that even though He-ions begin to modify the nature of bonds even at the lowest doses, the films' conductive properties exhibit remarkable stability with large displacement damage and they are driven to metallic states only at the limit of structural decomposition. Finally, we show that electroforming in a nanoscale junction can be carried out with a dissipated power of <20 nW, a much smaller value compared to earlier studies and one that minimizes irreversible structural modifications of the films. Importantly, the multimodal approach described here provides a new framework toward the theory/experiment guided design and optimization of electroresistive materials.

36 MATERIALS SCIENCE↗

Study of electronic transport properties of doped 8AGNR

The electronic and transport properties of 8-armchair graphene nanoribbon (8AGNR) with defect at different sites are investigated by performing first-principles calculations based on density functional theory (DFT). The calculated results show that the 8AGNR are semiconductor. The introduction of 3d transition metals, creates the nondegenerate states in the conduction band, makes 8AGNR metallic. The computed transmission spectrum confirms that AGNR are semiconducting in nature and their band gap remain unchanged and localized states appear when there is vacancy in their structures, and the conductance decreases due to defects compared with the pristine nanoribbon.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Structural basis for activity of TRIC counter-ion channels in calcium release

Trimeric intracellular cation (TRIC) channels are thought to provide counter-ion currents that facilitate the active release of Ca 2+ from intracellular stores. TRIC activity is controlled by voltage and Ca 2+ modulation, but underlying mechanisms have remained unknown. Here we describe high-resolution crystal structures of vertebrate TRIC-A and TRIC-B channels, both in Ca 2+ -bound and Ca 2+ -free states, and we analyze conductance properties in structure-inspired mutagenesis experiments. The TRIC channels are symmetric trimers, wherein we find a pore in each protomer that is gated by a highly conserved lysine residue. In the resting state, Ca 2+ binding at the luminal surface of TRIC-A, on its threefold axis, stabilizes lysine blockage of the pores. During active Ca 2+ release, luminal Ca 2+ depletion removes inhibition to permit the lysine-bearing and voltage-sensing helix to move in response to consequent membrane hyperpolarization. Diacylglycerol is found at interprotomer interfaces, suggesting a role in metabolic control.

Wang, Xiao-hui↗