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New Phases and Dissociation-Recombination of Hydrogen Deuteride to 3.4 Mbar

Ranga Dias、Ori Noked、Isaac F. Silvera2016-04-08Physical Review Letters

We present infrared absorption studies of solid hydrogen deuteride to pressures as high as 340 GPa ($100\text{ }\text{ }\mathrm{GPa}=1\text{ }\text{ }\mathrm{Mbar}$) in a diamond anvil cell and temperatures in the range 5--295 K. Above 198 GPa the HD sample transforms to a mixture of HD, ${\mathrm{H}}_{2}$, and ${\mat…

Advanced Chemical Physics StudiesCrystallography and molecular interactionsHydrogen Storage and Materials

Rates and singlet/triplet ratios from TADF transients

Mitchell C. Nelson2016-04-08arXiv

Thermally activated delayed fluorescence has been reported in a number of OLED emitter materials engineered to have low singlet-triplet energy gaps. Here we derive closed solutions for steady state and transient behaviors, and apply these results to obtain the singlet and triplet relaxation, forward and reverse crossi…

Mesoscale and Nanoscale PhysicsChemical PhysicsMaterials Science

Quantum crystallographic charge density of urea

Michael E. Wall2016-04-08arXiv

Standard X-ray crystallography methods use free-atom models to calculate mean unit cell charge densities. Real molecules, however, have shared charge that is not captured accurately using free-atom models. To address this limitation, a charge density model of crystalline urea was calculated using high-level quantum th…

Materials ScienceChemical Physics

Static and Dynamical Properties of Antiferromagnetic Skyrmions in the Presence of Applied Current and Temperature

Joseph Barker、Oleg A. Tretiakov2016-04-08arXiv

Skyrmions are topologically protected entities in magnetic materials which have the potential to be used in spintronics for information storage and processing. However, Skyrmions in ferromagnets have some intrinsic difficulties which must be overcome to use them for spintronic applications, such as the inability to mo…

Materials ScienceMesoscale and Nanoscale Physics

Energetics of Cs in Sigma3 grain boundary of 3C-SiC

Raghani Pushpa、Balaji Ramanujam、Tram Bui 等 4 位作者2016-04-08arXiv

Energetics of Cs defects at Sigma3 grain boundaries of 3C-SiC has been studied using density functional theory to understand the role of the grain boundaries in Cs diffusion and its eventual release from the tristructural isotropic fuel particles (TRISO). Cs is shown to be much more stable at the Sigma3 grain boundary…

Materials Science

A van der Waals Density Functional Study of MoO 3 and Its Oxygen Vacancies

Katherine Inzani、Tor Grande、Fride Vullum‐Bruer 等 4 位作者2016-04-08The Journal of Physical Chemistry C

The electronic structure of layered molybdenum trioxide MoO 3 is highly sensitive to changes in oxygen stoichiometry as Mo 6+ has an empty 4d shell. Applications of MoO 3 are responsive to small changes in vacancy concentration, with some functions relying on a narrow window of oxygen nonstoichiometry. Difficulties in…

ZnO doping and propertiesSemiconductor materials and devicesTransition Metal Oxide Nanomaterials

Aldol Condensation of Acetaldehyde over Titania, Hydroxyapatite, and Magnesia

Zachary D. Young、Sabra Hanspal、Robert J. Davis2016-04-08ACS Catalysis

The kinetics of aldol condensation of acetaldehyde were studied over anatase titania (TiO 2 ), hydroxyapatite (HAP), and magnesia (MgO). Reactions were carried out in a fixed-bed reactor with a total system pressure of 220 kPa at temperatures between 533 and 633 K and acetaldehyde partial pressures between 0.05 and 50…

Catalysis and Hydrodesulfurization StudiesCatalysis and Oxidation ReactionsMesoporous Materials and Catalysis

An Ultralong, Highly Oriented Nickel‐Nanowire‐Array Electrode Scaffold for High‐Performance Compressible Pseudocapacitors

Chao Xu、Ziheng Li、Cheng Yang 等 10 位作者2016-04-08Advanced Materials

Ultralong, highly oriented Ni nanowire arrays are used as the electrode scaffold to support metal-oxide- and conductive-polymer-based electrode materials with a high mass loading; the as-obtained asymmetric supercapacitor can be compressed by fourfold and exhibits superior energy and power densities with ultrahigh cyc…

Advancements in Battery MaterialsSupercapacitor Materials and FabricationAdvanced battery technologies research

Progress of Carbon Quantum Dots in Photocatalysis Applications

Zhijie Zhang、Tingting Zheng、Xiaoming Li 等 5 位作者2016-04-08Particle & Particle Systems Characterization

Carbon quantum dots (CQDs), as a new class of carbon nanomaterials, have attracted considerable interest because of their low cost, low toxicity, chemical inertness, superiority in water solubility, ease of functionalization and simple synthetic routes. In recent years, the excellent light harvesting capability and un…

Advanced Photocatalysis TechniquesCarbon and Quantum Dots ApplicationsNanocluster Synthesis and Applications

Engineering the Absorption and Field Enhancement Properties of Au–TiO2 Nanohybrids via Whispering Gallery Mode Resonances for Photocatalytic Water Splitting

Jianming Zhang、Xin Jin、Pablo I. Morales-Guzman 等 8 位作者2016-04-08ACS Nano

Recently, surface plasmon resonance (SPR) effects have been widely used to construct photocatalysts which are active in the visible spectral region. Such plasmonic photocatalysts usually comprise a semiconductor material transparent in the visible range (such as TiO2) and plasmonic nano-objects (e.g., Au nanoparticles…

Copper-based nanomaterials and applicationsGold and Silver Nanoparticles Synthesis and ApplicationsAdvanced Photocatalysis Techniques

Collagen structure: new tricks from a very old dog

Jordi Bella2016-04-08Biochemical Journal

The main features of the triple helical structure of collagen were deduced in the mid-1950s from fibre X-ray diffraction of tendons. Yet, the resulting models only could offer an average description of the molecular conformation. A critical advance came about 20 years later with the chemical synthesis of sufficiently…

Cell Adhesion Molecules ResearchCollagen: Extraction and CharacterizationMarine Biology and Environmental Chemistry

Review of Applications of Polymer/Carbon Nanotubes and Epoxy/CNT Composites

Ayesha Kausar、Irum Rafique、Bakhtiar Muhammad2016-04-08OpenAlex

In this review, an overview of polymer and carbon nanotube composite is presented with special emphasis on their applications in technical fields. The general applications of polymer/carbon nanotube nanocomposite in actuators, sensors, sporting goods, and so on have been discussed. In addition, special features of epo…

Dielectric materials and actuatorsPolymer Nanocomposite Synthesis and IrradiationCarbon Nanotubes in Composites

Hyaluronidase Embedded in Nanocarrier PEG Shell for Enhanced Tumor Penetration and Highly Efficient Antitumor Efficacy

Hao Zhou、Zhiyuan Fan、Junjie Deng 等 7 位作者2016-04-08OpenAlex

One of the major challenges in applying nanomedicines to cancer therapy is their low interstitial diffusion in solid tumors. Although the modification of nanocarrier surfaces with enzymes that degrade extracellular matrix is a promising strategy to improve nanocarrier diffusion in tumors, it remains challenging to app…

Nanoparticle-Based Drug DeliveryGlycosylation and Glycoproteins ResearchElectrospun Nanofibers in Biomedical Applications

Enzyme Mimics: Advances and Applications

Evelyn Kuah、Seraphina Toh、Jessica Yee 等 5 位作者2016-04-08OpenAlex

Enzyme mimics or artificial enzymes are a class of catalysts that have been actively pursued for decades and have heralded much interest as potentially viable alternatives to natural enzymes. Aside from having catalytic activities similar to their natural counterparts, enzyme mimics have the desired advantages of tuna…

Electrochemical sensors and biosensorsAdvanced biosensing and bioanalysis techniquesAdvanced Nanomaterials in Catalysis

Ru and Ru–Ni Nanoparticles on TiO 2 Support as Extremely Active Catalysts for Hydrogen Production from Ammonia–Borane

Kohsuke Mori、Kohei Miyawaki、Hiromi Yamashita2016-04-08OpenAlex

Highly dispersed monometallic Ru nanoparticles can be successfully synthesized on TiO 2 supports for effective hydrogen production from ammonia–borane (NH 3 ·BH 3; AB). The choice of support material and reduction methods were confirmed to significantly influence the size of the Ru nanoparticles, and smaller sizes of…

Nanomaterials for catalytic reactionsAmmonia Synthesis and Nitrogen ReductionHydrogen Storage and Materials

n -Type Bi 2 Te 3– x Se x Nanoplates with Enhanced Thermoelectric Efficiency Driven by Wide-Frequency Phonon Scatterings and Synergistic Carrier Scatterings

Min Hong、Thomas C. Chasapis、Zhi‐Gang Chen 等 7 位作者2016-04-08OpenAlex

Driven by the prospective applications of thermoelectric materials, massive efforts have been dedicated to enhancing the conversion efficiency. The latter is governed by the figure of merit (ZT), which is proportional to the power factor (S(2)σ) and inversely proportional to the thermal conductivity (κ). Here, we demo…

Advanced Thermoelectric Materials and DevicesThermal Radiation and Cooling TechnologiesAdvanced Thermodynamics and Statistical Mechanics

A Stable Pentagonal Bipyramidal Dy(III) Single-Ion Magnet with a Record Magnetization Reversal Barrier over 1000 K

Jiang Liu、Jiang Liu、Yan‐Cong Chen 等 14 位作者2016-04-08OpenAlex

Single-molecule magnets (SMMs) with a large spin reversal barrier have been recognized to exhibit slow magnetic relaxation that can lead to a magnetic hysteresis loop. Synthesis of highly stable SMMs with both large energy barriers and significantly slow relaxation times is challenging. Here, we report two highly stab…

Magnetism in coordination complexesLanthanide and Transition Metal ComplexesAdvanced NMR Techniques and Applications

Synthesis of α-hydroxyphosphonate cyclotriphosphazene under solvent-free conditions with a basic catalyst

Lisheng Zhou、Guangcheng Zhang、Jianwei Li 等 4 位作者2016-04-07Phosphorus, sulfur, and silicon and the related elements

GRAPHICAL ABSTRACTSynthesis of α-hydroxyphosphonate cyclotriphosphazene under solvent-free conditions with a basic catalystAll authorsLisheng Zhou, Guangcheng Zhang, Jianwei Li & Yunjie Fenghttps://doi.org/10.1080/10426507.2016.1166503Published online:11 July 2016

Flame retardant materials and propertiesSynthesis of Organic CompoundsOrganophosphorus compounds synthesis

The effects of passivation parameters on pitting potential of biomedical stainless steel

Dušan Petković、Miloš Madić、Goran Radenković2016-04-07Chemical Industry and Chemical Engineering Quarterly

Passivation is a chemical process in which the electrochemical condition of passivity is gained on the surface of metal alloys. Biomedical AISI 316LVM stainless steel (SS) can be passivized by means of nitric acid immersion in order to improve a protective oxide layer on the surface and consequently increase corrosion…

Welding Techniques and Residual StressesThermography and Photoacoustic TechniquesHydrogen embrittlement and corrosion behaviors in metals

Nonlinear optical properties and supercontinuum spectrum of titania-modified carbon quantum dots

Yu. N. Kulchin、A. Yu. Mayor、D. Yu. Proschenko 等 5 位作者2016-04-07Quantum Electronics

We have studied the nonlinear optical properties and supercontinuum spectrum of solutions of carbon quantum dots prepared by a hydrothermal process from chitin and then coated with titania. The titania coating has been shown to have an activating effect on the carbon quantum dots, enhancing supercontinuum generation i…

Nonlinear Optical Materials StudiesCarbon and Quantum Dots ApplicationsLuminescence and Fluorescent Materials