Materials Literature
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Obtaining diffraction-quality crystals has long been a bottleneck in solving the three-dimensional structures of proteins. Often proteins may be stabilized when they are complexed with a substrate, nucleic acid, cofactor or small molecule. These ligands, on the other hand, have the potential to induce significant conf…
Model building and refinement of complexes between biomacromolecules and small molecules requires sensible starting coordinates as well as the specification of restraint sets for all but the most common non-macromolecular entities. Here, it is described why this is necessary, how it can be accomplished and what pitfal…
Based on first-principles density functional calculations, a general approach for determining and analyzing the degree of spin polarization (P) in ferromagnets is presented. The approach employs the so-called tetrahedron method to evaluate the Fermi surface integrations of P in both ballistic and diffusive regimes. Th…
We have performed an {\it ab initio} total energy investigation, within the density functional theory (DFT), of antisite defects in InP nanowires (InP$NW$s) grown along the [111] direction. Our total energy results indicate that, (i) P antisites (P$_{\rm In}$) are the most likely antisite defect compared with In antis…
Continuum simulations of self-organized lateral compositional modulation growth in InAs/AlAs short-period superlattices on InP substrate are presented. Results of the simulations correspond quantitatively to the results of synchrotron x-ray diffraction experiments. The time evolution of the compositional modulation du…
Drug-discovery research in the past decade has seen an increased selection of targets with phosphate recognition sites, such as protein kinases and phosphatases, in the past decade. This review attempts, with the help of database-mining tools, to give an overview of the most important principles in molecular recogniti…
Abstract Electrospinning is a very simple and versatile method of creating polymer‐based high‐functional and high‐performance nanofibers. But most of the investigations are not systematic and describe the electrospinning process without quantitative accuracy. Inconsistent and even opposite results have been reported,…
Young's modulus and the thickness of single wall carbon nanotubes (CNTs) obtained from prior atomistic studies are largely scattered. In this paper we establish an analytic approach to bypass atomistic simulations and determine the tension and bending rigidities of graphene and CNTs directly from the interatomic poten…
Because of the strong spatial confinement of electronic wave functions and reduced dielectric screening, the effects of carrier-carrier Coulomb interactions are greatly enhanced in semiconductor nanocrystals (NCs) compared with those in bulk materials. These interactions open a highly efficient decay channel via Auger…
An inductively coupled argon (Ar) plasma is superimposed on a silicon (Si) plasma generated by an electron beam gun in order to realize the formation of gas-atom encapsulated Si cage clusters. The Si clusters, which are formed and deposited on a substrate, are analyzed by laser-desorption time-of-flight mass spectrome…
Abstract We review recent results of an extensive experimental study of ion implanted Mn–Ge(100) alloys fabricated by systematically varying the Mn dose (in the range 1–4 × 10 16 at/cm 2 ) and the Ge substrate temperature (from room temperature up to 300 °C) during the implantation. The samples have been investigated…
Abstract The crystal structure of one of the simplest organoboron compounds, trimethyl borate does not appear to have been determined hitherto. The compound is of interest for the study of π‐donor ligands and their interaction with the π‐acceptor behavior of trigonal boron and the consequences of such interactions on…
Abstract Chemical Vapour Transport and Crystal Structure of Rare‐Earth Antimonates(V) – RE SbO 4 Single crystals of the compounds RE SbO 4 ( RE = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Lu) were obtained by endothermic chemical transport with TeCl 4 as transport agent. The composition of the gas phase has been studied using m…
Official journal of the Institute of Physics - Sri Lanka. Full text articles are available. The journal also has a website at http://www.ip-sl.org/sljp/The new email for the Editor is eic.ipsl@gmail.com.
The authors report the growth, structural and electrical characterizations of SrTiO3 films deposited on conductive SrTiO3:Nb (001) substrates by high pressure reactive rf magnetron sputtering. Optimized deposition parameters yield smooth epitaxial layers of high crystalline perfection with a room temperature dielectri…
( K 0.5 Bi 0.5 ) 0.4 Ba 0.6 Ti O 3 nanowires have been fabricated by a sol-gel–hydrothermal method at 200°C. X-ray diffraction result shows that the nanowires have a tetragonal perovskite structure. Transmission electron microscopy investigations exhibit that the as-prepared nanowires are single crystalline grains wit…
Abstract Complexes of [Sm 2 ( m ‐ClBA) 6 (phen) 2 ] · 2H 2 O and [Sm 2 ( m ‐BrBA) 6 (phen) 2 ] · 2H 2 O ( m ‐ClBA = m ‐chlorobenzoate, m ‐BrBA = m ‐bromobenzoate, and phen = 1,10‐phenanthroline) were prepared and characterized by elemental analysis and IR spectra. The thermal decomposition processes of the two complex…
Magnetocaloric cooling is an alternative, high-efficiency cooling technology. In this paper, we present the design and fabrication of a micromachined magnetocaloric cooler and demonstrate its ability to work in a small magnetic field (<1.2 T) with a cooling test. The cooler was built by fabricating Si microfluidic cha…
Ferroelectric Bi3.25La0.75Ti3O12 (BLT) films were grown on Pt∕Ti∕SiO2∕Si (Pt∕Si), LaNiO3∕Pt∕Si, and LaNiO3∕Si substrates using chemical solution deposition technique. X-ray diffraction analysis shows that films grown on conductive LaNiO3 electrodes had higher degree of (117) orientation as compared to that grown direc…
Abstract This work focuses on the effects of nanocrystalline ferrite particles (NFPs) on the sintering behaviour and magnetic properties of NiCuZn ferrite for multilayer chip inductor use. It was found that the NFPs could evidently improve the sintering behaviour of the ferrite because of their large surface free ener…