Materials Literature
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A mechanism to generate a spin-polarized current in a two-terminal zigzag silicene nanoribbon is predicted. When a weak local exchange field that is parallel to the surface of silicene is applied on one of edges of the silicene nanoribbon, a gap is opened in the corresponding edge states but another pair of gapless ed…
<b> </b>In the last decades the biocomposites have been widely used in the construction, automobile and aerospace industries. Not only the interface transition zone (ITZ) but also the heterogeneity of natural fibres affects the mechanical behaviour of these composites. This work focuses on the numerical and experiment…
Neutral poly(N-vinyl carbazole) (PVK) and perylene are coassembled within the interlayers of layered double hydroxide (LDH) nanosheets to form (perylene@PVK/LDH)(n) ultrathin films by the hydrogen-bond layer-by-layer assembly method. An efficient 2D fluorescence resonance energy transfer (FRET) process from PVK to per…
We have performed molecular dynamics (MD) simulations on coarse-grained polymer films which are confined between two attractive crystalline Lennard-Jones substrates with three different substrate–substrate separations. Two different polymer–substrate interactions strengths have been studied. Detailed analysis of the s…
Patterned surfaces: The fabrication of patterned superomniphobic–superomniphilic surfaces is reported. Such patterned surfaces are expected to be useful in developing well-defined microreactors for liquid-phase reactions, significantly enhancing heat transfer during condensation and boiling of various low-surface-tens…
The understanding of the atomic-scale structural and chemical ordering in supported nanosized alloy particles is fundamental for achieving active catalysts by design. This report shows how such knowledge can be obtained by a combination of techniques including X-ray photoelectron spectroscopy and synchrotron radiation…
Achieving stepwise photochromism in a combined molecule to access all of the possible ring-open/closed isomers is a challenge due to facile energy transfer from ring-open dithienylethene (DTE) to an adjacent ring-closed moiety that prohibits further photocyclization. The preparation, characterization, and photochromic…
Porphyrins are tetrapyrrolic 18 π electron conjugated macrocycles with wide applications that range from materials to medicine. Expanded porphyrins, synthetic analogues of porphyrins that contain more than 18 π electrons in the conjugated pathway, have an increased number of pyrroles or other heterocyles or multiple m…
Highly ordered two-dimensional (2D) hexagonal TiO(2)-Fe(2)O(3) mixed-oxide material MFT-1, which is composed of very tiny nanoparticles, is synthesized using sodium dodecylsulfate (SDS) as a structure-directing agent. Interestingly, synthesis of an ordered mesophase was not possible using SDS as a template for mesopor…
We report a new strategy for the photomediated phase transfer of luminescent quantum dots, QDs, and potentially other inorganic nanocrystals, from hydrophobic to polar and hydrophilic media. In particular, we demonstrate that UV-irradiation (λ < 400 nm) promotes the in situ ligand exchange on hydrophobic CdSe QDs with…
Parallel replica dynamics is a method for accelerating the computation of processes characterized by a sequence of infrequent events. In this work, the processes are governed by the overdamped Langevin equation. Such processes spend much of their time about the minima of the underlying potential, occasionally transiti…
Highly mismatched semiconductor alloys such as GaNAs and GaBiAs have several novel electronic properties, including a rapid reduction in energy gap with increasing x and also, for GaBiAs, a strong increase in spin orbit- splitting energy with increasing Bi composition. We review here the electronic structure of such a…
InGaN-based active layers within microcavity resonators offer the potential of low threshold lasers in the blue spectral range. Here we demonstrate optically pumped, room temperature lasing in high quality factor GaN microdisk cavities containing InGaN quantum dots (QDs) with thresholds as low as 0.28 mJ/cm2. This wor…
The formation energies of the oxygen vacancy and titanium interstitial in rutile TiO${}_{2}$ were calculated by the screened-exchange (sX) hybrid density functional method, which gives a band gap of 3.1 eV, close to the experimental value. The oxygen vacancy gives rise to a gap state lying 0.7 eV below the conduction…
<b> </b>In the emerging issue of increased multi-resistant properties in food borne pathogens, zinc oxide (ZnO) and nano-particle zinc oxide (nano-ZnO) are being used increasingly as antimicrobial agents. Thus, the minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) of nano-ZnO towards…
Magnetocaloric effect: A Gd(III)-based metal-organic framework (MOF) has an unprecedented large magnetocaloric effect around 2 K. It was shown to be an interesting magnetorefrigerant for ultralow-temperature applications, because it combines the advantages of molecular materials and the robustness of a framework with…
We report the synthesis of CuO nanoparticles using different solvents by a low cost sol-gel route. Evolution of structure, microstructure and optical absorption analysis of these nanoparticles were studied using X-ray diffraction (XRD) and UV-Visible spectrophotometer. XRD analysis indicated that the crystallite size…
The interplay of two subsequent aggregation processes results in a symmetry-breaking phenomenon in an achiral self-assembling system. Partially fluorinated benzene-1,3,5-tricarboxamide molecules self-assemble into a racemic mixture of one-dimensional P- and M-helical aggregates, followed by bundling into optically act…
Nanocrystalline cellulose particles are new class of cellulose materials that can find the wide application in various technical areas, biotechnology and medicine. The nanoparticles are usually made by treatment or initial cellulose samples with concentrated sulfuric acid (SA) at various temperatures and following mec…
In the past few years materials with protected gapless surface (edge) states have risen to the central stage of condensed matter physics. Almost all discussions centered around topological insulators and superconductors, which possess full quasiparticle gaps in the bulk. In this paper we argue systems with topological…