Materials Literature
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Using synchrotron radiation (SR), the crystal structures of T6 bovine insulin complexed with Ni(2+) and Cu(2+) were solved to 1.50 and 1.45 Å resolution, respectively. The level of detail around the metal centres in these structures was highly limited, and the coordination of water in Cu site II of the copper insulin…
We report results of our experimental and theoretical studies on the Au concentration profile of Cu3Au(111) during oxidation by a hyperthermal O2 molecular beam at room temperature, using X-ray photoemission spectroscopy (XPS), in conjunction with synchrotron radiation (SR), and density functional theory (DFT). Before…
White light emitting Sr2SiO4:Eu2+ nanoparticles were prepared using reverse micellar route using Tergitol as a surfactant. The systems were characterised by X-ray diffraction, scanning electron microscopy (SEM), photoluminescence, thermoluminescence (TL), and electron paramagnetic resonance (EPR) spectroscopy. SEM sho…
We have studied the adsorption of monoethanolamine (MEA, HO(CH 2 ) 2 NH 2 ), a well-known CO 2 capture molecule, on the rutile TiO 2 (110) surface using a combined experimental and theoretical approach. X-ray photoelectron spectroscopy, near-edge X-ray absorption fine structure spectroscopy, and scanning tunneling mic…
We present a theoretical and numerical analysis of the mechanical behavior of self-healing materials using an analytical model and numerical calculations both based on a Hierarchical Fiber Bundle Model, and applying them to graphene- or carbon-nanotube-based materials. The self-healing process can be described essenti…
A combined experimental and theoretical study of the local chemistry of cerium oxide films and islands on Ru(0001) is presented. Based on intensity-voltage low-energy electron microscopy [$I(V)$-LEEM] and resonant x-ray photoemission spectroscopy, we establish a one-to-one correspondence between the local oxidation st…
The adiabatic transition energies from the lowest triplet states of four Europium tris β-diketonate/phenantroline complexes have been determined in vacuo and in dicholomethane solution by the ΔSCF approach at the density functional theory level, using the PBE1PBE and the CAM-B3LYP hybrid functionals. The calculated ad…
Due to the donor–acceptor nature of their supramolecular interactions, nanostructured porphyrin-fullerene self-assembled architectures show attractive properties that can be exploited in high efficiency solar cells. In this work, we show that six different ordered bicomponent porphyrin-fullerene (C 60 ) networks are o…
A phase behavior around the transition between ice VII and a plastic phase of water is investigated by molecular dynamics simulation and the subsequent analysis on the basis of Landau theory. The prior works have predicted that the phase transition between ice VII and plastic ice is a first-order transition on the gro…
Double-perovskite oxide Sr2MgTeO6 has been synthetized, and its crystal structure was probed by the technique of X-ray diffraction at room temperature. The structure is monoclinic, space group I2/m. Temperature-induced phase transitions in this compound were investigated by Raman spectroscopy up to 550 °C. Two low-wav…
The 13C solid state NMR spectra of the sponge prepared from Bombyx mori silk fibroin with different 13C labeling sites, [3-13C]Ser, [3-13C]Tyr and [3-13C]Ala were observed in dry and wet states. Here the silk fibroin sponge was prepared using poly(ethylene) glycol diglycidyl ether (PGDE) as porogen. Two broad peaks as…
Phase-separated La0.335Pr0.335Ca0.33MnO3 films were epitaxially grown on (001)- and (111)-oriented ferroelectric single-crystal substrates. Upon poling along the [001] or [111] direction, dramatic decrease in resistance, up to 99.98%, and complete melting of the charge-ordered phase were observed, caused by poling-ind…
Bismuth selenide (Bi2Se3) has proven to be an important material in thermoelectric and topological insulator applications. We report here a simple electrochemical self-assembly route for the preparation of well-defined hierarchical dendritic Bi2Se3 nanostructures. Cyclic voltammetry was used to study the electrochemic…
Synthesis of a variety of 8,16-disubstituted-anti-[2.2]metacyclophanedienes (CPD) with alkenyl and alkynyl internal (8,16) groups is described together with their analogous dihydropyrenes (DHP). Eyring and Arrhenius parameters were determined for the thermal closing reaction, CPD to DHP, and half-lives at 20 °C were f…
Two spin-crossover (SCO) supramolecular isomers formulated as [Fe(Mebpt){Au(CN)2}]n·xH2O (1, x = 0, and 2·H2O, x = n, MebptH = 3-(5-methyl-2-pyridyl)-5-(2-pyridyl)-1,2,4-triazole) have been successfully isolated and characterized by single-crystal X-ray crystallography, thermogravimetric analysis, differential scannin…
Ferromagnetic-metallic ground state with high Curie temperature (TC) of 200–258 K has been observed in CaRuO3/La2/3Ca1/3MnO3 (CRO/LCMO) superlattices with the ultrathin LCMO layer of 0.8–3.2 nm thick. This contradicts the antiferromagnetic or low-TC insulating ground state observed in single-layer LCMO thin-films. TC…
We describe a novel synthetic method towards single-walled carbon nanotubes (SWNTs)/polymer hybrids utilizing the nanospace of a surfactant–micelle on the SWNTs, which provides highly stable SWNTs/ultrathin cross-linked polymer networks. In this study, N-isopropylacrylamide (NIPAM) is used as the monomer for the SWNT-…
We employ nuclear magnetic resonance microimaging to study the kinetics of a high-swelling ionic polymer gel. This includes the time evolution of the sphere diameter and also the evolution of the swollen-unswollen boundary. The experimental results for spherical ionic polyacrylamide gels are compared with the predicti…
In this study, a new type of Cu–Al–Ta (Cu 86 Al 12 Ta 2 wt%) shape memory alloy with high martensitic transformation temperature is explored. The microstructure, reversible martensitic transformation and shape memory properties are investigated by means of optical microscopy, back-scattered electron, electron probe mi…
TEMPO/NaBr/NaClO-mediated surface oxidation of NCC, acid-extracted from aspen kraft pulp, was studied, and the properties of nanocellulose whiskers before and after oxidation were characterized by conductimetry, Fourier transform infrared spectroscopy, X-ray diffraction, and atomic force microscopy. The resulting prod…