Materials Literature
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A simple strategy is presented for the construction of an electrochemical interface with a tunable kinetic barrier by self-assembling organically modified silica gel and gold nanoparticles. Self-assembly of an organically modified silica layer is carried out from the hydrolyzed sol of the precursor mercaptopropyltrime…
We study the effect of magnetic field and geometric confinement on excitons confined to a quantum ring. We use analytical matrix elements of the Coulomb interaction and diagonalize numerically the effective-mass Hamiltonian of the problem. To explore the role of different boundary conditions, we investigate the quantu…
It has been observed that the effect of magnetic impurities in a superconductor is drastically different depending on whether the host superconductor is in a crystalline or an amorphous state. Based on the recent theory of Kim and Overhauser, it is shown that as the system is getting disordered, the initial slope of t…
Molecular self-assembly is a widespread phenomenon in both chemistry and biochemistry. Yet it was not until the rise of supramolecular chemistry that attention has increasingly been given to the designed self-assembly of a variety of synthetic molecules and ions. To a large extent, success in this area has reflected k…
The viability of molecules with planar hexacoordinate carbon atoms is demonstrated by density-functional theory (DFT) calculations for CB6(2-), a CB6H2 isomer, and three C3B4 minima. All of these species have six pi electrons and are aromatic. Although other C3B4 isomers are lower in energy, the activation barriers fo…
The adsorption activity of In 4 Se 3 , In 4 Se 3 (Ag), InSe, GaSe and TlGaSe 2 semiconductor crystal interlayer cleavage surfaces relatively to N 2 , O 2 , CO gases and water vapour has been studied by Auger electron spectroscopy and mass spectrometry. It has been determined that atomically clean layered crystal surfa…
The synthesis and characterization of 10 cyano-bridged trinuclear mixed-valence compounds of the form [(NH3)5M-NC-FeII(CN)4-CN-M'(NH3)5]n+ (M = RuIII, OsIII, CrIII, or PtIV; n = 2, 3, or 4) is reported. The electronic spectra of these supramolecular compounds exhibit a single intervalent (IT) absorption band for each…
Near-infrared to visible upconversion luminescence in Ni2+:CsCdCl3, Ni2+:CsMnCl3, and Ni2+:RbMnCl3 is presented and analyzed. In all three materials upconversion occurs via a sequence of ground-state absorption/excited-state absorption processes, which are both formally spin-forbidden transitions. Consequently, in the…
The first two-dimensional molecular material Nd(III)−Cu(II) has been synthesized by reaction in DMF of [Cu(opba)]2- and Nd3+. The compound {Nd2[Cu(opba)0.5(ox)]3·9DMF}·4.5DMF has been structurally characterized. Its crystalline structure can be described as the superposition of honeycomb-like molecular motifs. This ma…
Abstract Understanding in detail the mechanism of protein folding in vitro requires all the conformational states encountered during folding to be known, including the rate limiting transition state. On initiating refolding, different proteins adopt a wide variety of different conformations very rapidly, before foldin…
A series of redox isomers of [CrIII(X4SQ)(X4Cat)2]2-, [CrIII(X4SQ)2(X4Cat)]-, and [CrIII(X4SQ)3]0 (X = Cl and Br, SQ = semiquinonate, and Cat = catecholate) have been synthesized and characterized as charge-transfer (CT) compounds with metallocenium cations: (CoIIICp2)2[CrIII(Cl4SQ)(Cl4Cat)2] (1), (CoIIICp2)2[CrIII(Br…
The ability to analyze the composition of the outermost few atomic layers of solid surfaces has been expanded greatly over the past 25–30 years. Two analytical techniques have been in the forefront...
Optical absorption and photoluminescence spectroscopy have been used to investigate the physical changes induced by proton and electron irradiation in selected thermal control coatings. This study focused on a white paint and on its two components, a polydimethylsiloxane resin and zinc oxide powder. Samples were irrad…
Chemical bath deposition was used to prepare antimony trisulfide (Sb 2 S 3 ) thin films, of different particle size and with noticeably different band gaps, onto glass substrates. The structural investigations revealed that the as-deposited films are amorphous in nature. The particle size determined from the intercept…
Theoretical and experimental studies were conducted to elucidate the structure and properties of amphiphilic comb polymer thin films presenting nanoscale clusters of Arg-Gly-Asp (RGD) peptides for control of cell adhesion on biomaterials. Combs comprised of a poly(methyl methacrylate) backbone and short poly(ethylene…
Abstract The present book is an accessible, comprehensive guide to diffuse neutron scattering, an important technique for studying structural disorder in materials. The text takes the reader through theoretical, computational and experimental developments in the subject and describes in detail its application to a num…
Using density functional theory the atomic and electronic structure of sodium are predicted to depart substantially from those expected of simple metals for $r_s <$ 2.48 ($p > 130$ GPa). Newly-predicted phases include those with low structural symmetry, semi-metallic electronic properties (including zero-gap semicondu…
In this article we describe recent progress in the computational many-body theory of metal surfaces, and focus on current techniques beyond the local-density approximation of density-functional theory. We overview various applications to ground and excited states. We discuss the exchange-correlation hole, the surface…
High molecular weight cyclic alpha-1,4-glucan (referred to as cycloamylose) exhibited an artificial chaperone property toward three enzymes in different categories. The inclusion properties of cycloamylose effectively accommodated detergents, which keep the chemically denatured enzymes from aggregation, and promoted p…
The tribological properties of two smooth surfaces in the presence of a thin confined film are investigated with a generic model for the interaction between two surfaces and with computer simulations. It is shown that at large normal contact pressures, an ultra thin film automatically leads to static friction between…