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At least 1,351 records · Page 75

Strong, thermo-reversible salogels with boronate ester bonds as thermal energy storage materials

Inorganic salt hydrates are promising phase change materials (PCMs) but suffer from low viscosity at temperatures above their melting point resulting in leakage problems during thermal storage applications. To achieve shape stabilization of one type of molten inorganic PCM – calcium nitrate tetrahydrate (CNH) – this work explored gelation of polyvinyl alcohol (PVA) in this solvent and the effect of dynamic boronate ester bonds on salogel strength. The occurrence of gelation of PVA in molten CNH but not in water is rationalized by the extremely high salt content and scarcity of hydration water in CNH, enabling intermolecular hydrogen bonding between PVA chains. While neat PVA salogels in CNH were weak, with a gel-to-sol transition temperature (T gel ) below room temperature, the addition of small amounts of borax (<~0.3 wt%) introduced dynamic covalent crosslinks and yielded salogels with T gel tunable over a wide temperature range from 7 to 70 °C. Here, the PVA/borax salogels were about one order of magnitude stronger than their well-known PVA/borax hydrogel counterparts, and, unlike PVA/borax hydrogels, were capable of retaining their shape and preventing leakage of molten CNH. Moreover, the salogels exhibited reversible and repeatable temperature-triggered gel-to-sol transitions and the ability to self-heal. The low polymer and crosslinker concentration also ensured that more than 95% of the heat of fusion of neat CNH was maintained in the salogels and was retained after twenty cycles of melting and crystallization, demonstrating the robust nature of these energy storage materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Optical detection of alcohols with a Cu($\tiny{I}$)HETPHEN complex by reversible aldehyde to hemiacetal conversion

A heteroleptic copper(I) bis(phenanthroline) complex with aldehyde groups at the 4,7 positions of the phenanthroline ligand was synthesized. Here, the complex is responsive to alcohol, resulting in a distinct colour change caused by the facile reaction of the aldehyde group with alcohol, forming a hemiacetal product. The aldehyde species can be regenerated after heating the intermediate at 80 °C for 10 minutes, demonstrating the reusability of the complex for alcohol detection. This work presents a new strategy for applying transition metal complexes in small molecule sensing by installing functional groups in the secondary coordination sphere which reversibly react with analytes.

36 MATERIALS SCIENCE↗

Spin dynamics of [1,2- 13 C 2 ]pyruvate hyperpolarization by parahydrogen in reversible exchange at micro Tesla fields

Hyperpolarization of 13 C-pyruvate via Signal Amplification By Reversible Exchange (SABRE) is an important recent discovery because of both the relative simplicity of hyperpolarization and the central biological relevance of pyruvate as a biomolecular probe for in vitro or in vivo studies. Here, we analyze the [1,2- 13 C 2 ]pyruvate-SABRE spin system and its field dependence theoretically and experimentally. We provide first-principles analysis of the governing 4-spin dihydride- 13 C 2 Hamiltonian and numerical spin dynamics simulations of the 7-spin dihydride- 13 C 2 –CH 3 system. Furthermore, the analytical and the numerical results are compared to matching systematic experiments. With these methods we unravel the observed spin state mixing of singlet states and triplet states at microTesla fields and we also analyze the dynamics during transfer from micro-Tesla field to high field for detection to understand the resulting spectra from the [1,2- 13 C 2 ]pyruvate-SABRE system.

13C pyruvate↗

In situ studies of reversible solid–gas reactions of ethylene responsive silver pyrazolates

Solid–gas reactions and in situ powder X-ray diffraction investigations of trinuclear silver complexes {[3,4,5-(CF 3 ) 3 Pz]Ag} 3 and {[4-Br-3,5-(CF 3 ) 2 Pz]Ag} 3 supported by highly fluorinated pyrazolates reveal that they undergo intricate ethylene-triggered structural transformations in the solid-state producing dinuclear silver–ethylene adducts. Despite the complexity, the chemistry is reversible producing precursor trimers with the loss of ethylene. Less reactive {[3,5-(CF 3 ) 2 Pz]Ag} 3 under ethylene pressure and low-temperature conditions stops at an unusual silver–ethylene complex in the trinuclear state, which could serve as a model for intermediates likely present in more common trimer–dimer reorganizations described above. Complete structural data of three novel silver–ethylene complexes are presented together with a thorough computational analysis of the mechanism.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Reversible Cl/Cl - redox in a spinel Mn 3 O 4 electrode

A unique prospect of using halides as charge carriers is the possibility of the halides undergoing anodic redox behaviors when serving as charge carriers for the charge-neutrality compensation of electrodes. However, the anodic conversion of halides to neutral halogen species has often been irreversible at room temperature due to the emergence of diatomic halogen gaseous products. Here, we report that chloride ions can be reversibly converted to near-neutral atomic chlorine species in the Mn 3 O 4 electrode at room temperature in a highly concentrated chloride-based aqueous electrolyte. Notably, the Zn 2+ cations inserted in the first discharge and trapped in the Mn 3 O 4 structure create an environment to stabilize the converted chlorine atoms within the structure. Characterization results suggest that the Cl/Cl - redox is responsible for the observed large capacity, as the oxidation state of Mn barely changes upon charging. Computation results corroborate that the converted chlorine species exist as polychloride monoanions, e.g., [Cl 3 ] - and [Cl 5 ] - , inside the Zn 2+ -trapped Mn 3 O 4 , and the presence of polychloride species is confirmed experimentally. Our results point to the halogen plating inside electrode lattices as a new charge-storage mechanism.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Li–Mn–O Li-rich cation disordered rock-salt cathode materials do not undergo reversible oxygen redox during cycling

An in-depth study of “Li 4 Mn 2 O 5 ”, a nanocomposite of Li 2 O and Li 4-x Mn 2 O 5 with a disordered rock salt structure (LMO), was conducted to determine the origins of the observed anomalously high charge and discharge capacity in lithium cells, which can exceed 350 mA h g -1 . Using soft and hard X-ray absorption spectroscopy (XAS), mapping of resonant inelastic X-ray scattering (mRIXS), and X-ray Raman spectroscopy (XRS), it was determined that electrochemical decomposition of Li 2 O upon charge and reduction of Mn to below 3+ during discharge is responsible for the capacities that are observed, with no evidence of contributions from reversible oxygen redox. Here, the over-reduction is exacerbated when charging limits of 4.5–4.8 V are used due to side reactions between electrolytic solution and the highly oxidized active material. These side reactions result in dissolution of Mn at room temperature and release of oxygen and other gases during initial cycles, which, in turn, cause rapid capacity fading. This is accompanied by evolution of the voltage profile upon cycling towards one that resembles that of manganese oxide spinels. The cycling behavior can be improved somewhat by reducing the upper voltage limit, although this results in a diminishment of the discharge capacities below 200 mA h g -1 . By adding various amounts of spinel LiMn 2 O 4 during synthesis, it was possible to produce LMOs with rock salt structures having significantly improved cycling behavior but still having capacities in excess of 250 mA h g -1 . An optimized modified material also exhibits better rate capability and much less gas evolution during initial cycles than the unmodified LMO. Interestingly, as-made modified materials generally exhibited lower than expected average Mn oxidation states attributable to oxygen loss during the synthesis process, as well as higher capacities than expected based on their manganese contents. The oxygen loss during processing may reduce the activity of the remaining oxygen and account for the lower reactivity of the spinel-modified material.

25 ENERGY STORAGE↗

Reversible enzyme-catalysed NAD + /NADH electrochemistry

The formate dehydrogenase subcomplex FdsBG from Cupriavidus necator has been electrochemically activated to reversibly interconvert NAD + /NADH and provide unique insight to its kinetics and reactivity.

Giang, Peter D. [School of Chemistry and Molecular↗

Dynamic simulation of a reverse Brayton refrigerator

A test refrigerator based on the modified Reverse Brayton cycle has been developed in the Chinese Academy of Sciences recently. To study the behaviors of this test refrigerator, a dynamic simulation has been carried out. The numerical model comprises the typical components of the test refrigerator: compressor, valves, heat exchangers, expander and heater. This simulator is based on the oriented-object approach and each component is represented by a set of differential and algebraic equations. The control system of the test refrigerator is also simulated, which can be used to optimize the control strategies. This paper describes all the models and shows the simulation results. Comparisons between simulation results and experimental data are also presented. Experimental validation on the test refrigerator gives satisfactory results.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Electric field controlled reversible magnetic anisotropy switching studied by spin rectification

In this letter, spin rectification was used to study the electric field controlled dynamic magnetic properties of the multiferroic composite which is a Co stripe with induced in-plane anisotropy deposited onto a Pb(Mg{sub 1∕3}Nb{sub 2∕3})O{sub 3}-PbTiO{sub 3} substrate. Due to the coupling between piezoelectric and magnetoelastic effects, a reversible in-plane anisotropy switching has been realized by varying the history of the applied electric field. This merit results from the electric hysteresis of the polarization in the nonlinear piezoelectric regime, which has been proved by a butterfly type electric field dependence of the in-plane anisotropy field. Moreover, the electric field dependent effective demagnetization field and linewidth have been observed at the same time.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Deep sub-nanosecond reversal of vortex cores confined in a spin-wave potential well

A spin-wave potential well is created in a permalloy nanodisk by setting up a cylindrical cavity in the center of the sample. We then apply a single-harmonic external magnetic field perpendicular to the disk plane to switch the vortex polarity of the sample. Our micromagnetic numerical studies establish that the effective spin-wave confinement by the potential well leads to much stronger magnetization oscillation in the sample. Therefore, the vortex core can be reversed well below 200 ps and over a wide range of field frequency. Our findings present an additional efficient means for ultrafast switching of magnetic vortices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Single molecule tunneling spectroscopy investigation of reversibly switched dipolar vanadyl phthalocyanine on graphite

We report a spatially resolved scanning tunneling spectroscopy (STS) investigation of reversibly switchable dipolar vanadyl phthalocyanine (VOPc) on graphite by using low temperature scanning tunneling microscopy. VOPc molecule can be switched between O-up and O-down configurations by changing the polarity of the pulse voltage applied to the tip, actuated by the inelastic tunneling electrons. The spatially resolved STS measurements allow the identification of the electronic structures of VOPc with different dipole orientation. The present approach provides geometry images and electronic characterization of a molecular switch on surface spontaneously.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Probing material nonlinearity at various depths by time reversal mirrors

In this Letter, the time reversal mirror is used to focus elastic energy at a prescribed location and to analyze the amplitude dependence of the focus signal, thus providing the nonlinearity of the medium. By varying the frequency content of the focused waveforms, the technique can be used to probe the surface, by penetrating to a depth defined by the wavelength of the focused waves. The validity of this concept is shown in the presence of gradual and distributed damage in concrete by comparing actual results with a reference nonlinear measurement and X ray tomography images.

36 MATERIALS SCIENCE↗