Materials Literature
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A novel method was proposed to coat poly(methacrylic acid- co -vinyl triethoxylsilane) (PMV) on mesoporous silica spheres (MSSs) to obtain a core−shell pH-responsive drug-carrier (MSS/PMV). PMV was prepared by free radical polymerization of methacrylic acid (MAA) and vinyl triethoxylsilane (VTES), in which MAA acted a…
Energy band for single wall carbon nanotubes with spin–orbit interaction is calculated using non-orthogonal tight-binding method. A Bloch function with spin degree of freedom is introduced to adapt the screw symmetry of nanotubes. The energy gap opened by spin–orbit interaction for armchair nanotubes, and the energy b…
Effects of aggregation and surface chemistry of carbon nanotubes (CNTs) on the adsorption of three synthetic organic compounds (SOCs), phenanthrene (PNT), biphenyl (BP), and 2-phenylphenol (2PP), were investigated using commercially available pristine and surface functionalized single-walled carbon nanotubes (SWNTs),…
We propose an explicitly correlated local LCCSD-F12 method in which the basis set incompleteness error as well as the error caused by truncating the virtual orbital space to pair-specific local domains are strongly reduced. This is made possible by including explicitly correlated terms that are orthogonalized only to…
We report microscopic mechanisms for an unusual magnetization reversal behavior in Co/Pt multilayers where some of the first-order reversal curves protrude outside of the major loop. Transmission x-ray microscopy reveals a fragmented stripe domain topography when the magnetic field is reversed prior to saturation, in…
It was observed in recent experiments that the current-voltage characteristics (IV) of BPDN-DT (bipyridyl- dinitro- oligophenylene- ethynylene- dithiol) can be switched in a very controlled manner between "on" and "off" traces by applying a pulse in a bias voltage, V_bias. We have calculated the polaron formation ener…
It is nowadays a quite diffuse idea that variations of polarisation in condensed matter theory are related to a "Berry phase". The derivation of the latter geometric phase is correct $\it{only if}$ the restrictive periodic gauge\cite{KS-V} is used for its derivation, aside giving rise to a "quantum of polarisation" th…
We study electron transport properties of some molecular wires and a unconventional disordered thin film within the tight-binding framework using Green's function technique. We show that electron transport is significantly affected by quantum interference of electronic wave functions, molecule-to-electrode coupling st…
The influence of carrier density on magnetism in a zigzag graphene nanoribbon is studied in a $\ensuremath{\pi}$-orbital Hubbard-model mean-field approximation. Departures from half filling alter the magnetism, leading to states with charge-density variation across the ribbon and parallel spin alignment on opposite ed…
To achieve reversible photoswitching of the magnetic properties of single-molecule magnets (SMMs), coordination assemblies of a mixed valence tetranuclear [Mn(II)(2)Mn(III)(2)] complex linked by open- and closed-ring isomers of a photochromic diarylethene ligand were synthesized: [Mn(4)(hmp)(6)(dae-o)(2)(ClO(4))(2)] x…
The aim of current study is to investigate the in vitro and in vivo behavior of dental pulp stem cells (DPSCs) seeded on electrospun poly(epsilon-caprolactone) (PCL)/gelatin scaffolds with or without the addition of nano-hydroxyapatite (nHA). For the in vitro evaluation, DNA content, alkaline phosphatase (ALP) activit…
This investigation reports the effective use of the Diels-Alder (DA) reaction, a "click reaction" in the preparation of thermally amendable and self-healing polymeric materials having reactive furfuryl functionality. In this case, the DA and retro-DA (rDA) reactions were carried out between the tailor-made homo- and c…
The validity of the commonly used quantum corrections for mapping a classically predicted thermal conductivity onto a corresponding quantum value are assessed by self-consistently predicting the classical and quantum thermal conductivities of a crystalline silicon system via lattice-dynamics calculations. Applying the…
A near-field scanning optical microscope is used to locally induce photocurrent in a graphene transistor with high spatial resolution. By analyzing the spatially resolved photoresponse, we find that in the $n$-type conduction regime a $p\text{\ensuremath{-}}n\text{\ensuremath{-}}p$ structure forms along the graphene d…
The geometries, formation energies, and electronic and magnetic properties of N-doping defects, including single atom substitution and pyridine- and pyrrole-like substructures in zigzag graphene nanoribbons (ZGNRs), were investigated by means of spin-unrestricted density functional theory computations. The edge carbon…
Chemotherapy can destroy tumors and arrest cancer progress. Unfortunately, severe side effects (treatment is usually a series of injections of highly toxic drugs) often restrict the frequency and size of dosages, much to the detriment of tumor inhibition. Most chemotherapeutic drugs have pharmacokinetic profiles with…
In order to reduce the hairiness of ring spun yarns and to develop novel multilayered spun yarns, we investigated the properties of triplet spun yarns made from the same size of three rovings with different fiber fineness using an experimental ring spinning frame. The results were: (1) different fiber fineness triplet…
Abstract Polypropylene/nano‐calcium carbonate (PP/nano‐CaCO 3 ) composites were prepared by using an intermeshing, co‐rotating twin‐screw extruder. Two different screw configurations, denoted by screws A and B, respectively, were employed. The former provided high dispersive mixing and the later provided high dispersi…
This study conducts a three-dimensional electro-thermal time-domain simulation for numerical analysis of cylindrical-shaped phase change memories (PCMs). The influence of chalcogenide material, germanium antimony telluride (GeSbTe or GST), structure on PCM operation is explored. GST with vertical structure exhibits pr…
Optimizing vacuum grippers of robots for glass sheets handling and developing robots for glass cleaning, it is necessary to solve a number of problems calling for a similar approach to a solution.