Materials Literature
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Poly(ethylene terephthalate), PET, was studied by quasi-isothermal (QI) temperature-modulated differential scanning calorimetry (TMDSC), in the limit of extremely slow scanning rates. For the first time, both the temperature-dependent crystalline fraction and rigid amorphous fraction (RAF) were quantitatively analyzed…
The aim of this study is to obtain high-quality zinc oxide thin films at room temperature by reactive radiofrequency (rf) magnetron sputtering in an oxygen environment. The films were deposited on glass and silicon substrates at several temperatures, ranging from ambient temperature to 400 °C. In order to have the bes…
The quantum conductance of graphene nanoribbons that include vacancy and adatom-vacancy defects is studied for both armchair and zigzag edge structures. The conductance is calculated by using the Green's function formalism combined with a tight-binding method for the description of the system. Our results reveal that,…
Based on coordinate transformation incorporated with conformal mapping approach, a sub-wavelength imaging device with magnification, called "planar hyperlens" is designed, capable of realizing far-field plane-to-plane imaging beyond the diffraction limit. The possible implementation method is proposed by using effecti…
This work presents a novel approach to producing manganese (Mn)-doped quantum dots (Mnd-QDs) emitting in the near-infrared (NIR). Surface functionalization of Mnd-QDs with lysine makes them stably disperse in aqueous media and able to conjugate with targeting molecules. The nanoparticles were structurally and composit…
A deep-etched polarization-independent binary fused-silica phase grating as a three-port beam splitter is designed and manufactured. The grating profile is optimized by use of the rigorous coupled-wave analysis around the 785 nm wavelength. The physical explanation of the grating is illustrated by the modal method. Si…
Even though the semimetallic behavior of 1T-TiSe2 seemed to be well established by band structure calculations and photoemission results, this conclusion has been challenged recently. Two high-resolution photoemission investigations deduced semiconducting behavior, however with a very small band gap. Such conclusion f…
We consider aspects of patternings that occur in a wide array of physical systems due to interacting combinations of dipolar, interfacial, charge exchange, entropic, and geometric influences. We review well-established phenomena as a basis for discussion of more recent developments. The materials of interest range fro…
A framework for conceptualization of scalable solution-crystallization processes for cocrystals is developed and demonstrated using carbamazepine-nicotinamide as the model system. Calculation of intermolecular interactions and crystal lattice energy were carried out to understand the structure and strength of the bind…
Charge transport and glassy dynamics of a variety of glass-forming ionic liquids (ILs) are investigated in a wide frequency and temperature range by means of broadband dielectric spectroscopy, differential scanning calorimetry and rheology. While the absolute values of dc conductivity and viscosity vary over more than…
Star polymers with globular architecture and multiple arms are among the simplest forms of polymers with branched topologies. The combination of their unique architecture and high local densities of active functional groups makes star polymers unique candidates for a diverse range of applications. In this article, we…
Abstract Chitosan/poly(vinyl alcohol) (PVA) nanofibers with antibacterial activity were prepared by the electrospinning of a chitosan/PVA solution with a small amount of silver nitrate (AgNO 3 ) and titanium dioxide (TiO 2 ). Nanofibers with diameters of 270–360 nm were obtained. The yield of low‐viscosity chitosan (L…
Size-controlled silver (Ag) nanoparticles (NPs) and nanochains were synthesized for the first time in large quantities. This was done in the presence of alkaline 2,7-dihydroxy naphthalene (2,7-DHN) as a new reducing agent under microwave heating for just 60 s in a nonionic surfactant (TX-100) media. Results showed tha…
Photocontrol of a piperidine's Brønsted basicity was achieved by incorporation of a bulky azobenzene group and could be translated into pronounced reactivity differences between ON- and OFF-states in general base catalysis. This enabled successful photomodulation of the catalyst's activity in the nitroaldol reaction (…
Nanomaterials hold much promise for biological applications, but they require appropriate functionalization to provide biocompatibility in biological environments. For noncovalent functionalization with biocompatible polymers, the polymer must also remain attached to the nanomaterial after removal of its excess to mim…
A series of endofullerenes M@C60 were calculated from the first principles (unrestricted Hartree Fock and DFT B3LYP) methods with effective core potential (M = Ag, Cs) and all-electronic basis set (M = Li, Na, Cu). An arbitrary symmetry distortion (down to C1 point group) was assumed. The geometrical and electronic pr…
A new scheme to calculate the exchange tensor $\underline{\underline{J}}_{ij}$ describing in a phenomenological way the anisotropic exchange coupling of two moments in a magnetically ordered system is presented. The ab-initio approach is based on spin-polarised relativistic multiple-scattering theory within the framew…
We study the traversal times of electromagnetic pulses across dispersive media with negative dielectric permittivity ($\varepsilon$) and magnetic permeability ($μ$) parameters. First we investigate the transport of optical pulses through an electrical plasma and a negative refractive index medium (NRM) of infinite and…
We consider the extension of the standard single-determinant Kohn-Sham method to the case of a multiconfiguration trial wavefunction. By applying the rigorous Kohn-Sham method to this case, we construct the proper interacting and non-interacting energy functionals. Following the Hohenberg-Kohn theorem for both energy…
Successful modern generalized gradient approximations (GGA's) are biased toward atomic energies. Restoration of the first-principles gradient expansion for exchange over a wide range of density gradients eliminates this bias. We introduce PBEsol, a revised Perdew-Burke-Ernzerhof GGA that improves equilibrium propertie…