Materials Literature
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FFT-based solvers introduced in the 1990s for the numerical homogenization of heterogeneous elastic materials have been extended to a wide range of physical properties. In parallel, alternative algorithms and modified discrete Green operators have been proposed to accelerate the method and/or improve the description o…
This article presents a theoretical model for the calculation of the current impulse from X-ray induced conductivity in wide-gap semiconductors that contain different types of traps and recombination centres. The absorption of one X-ray photon in a semiconductor with ohmic contacts was investigated. The influence of t…
The density of states and the band diagrams were computed for diamond, cubic boron nitrde (cBN), and hexagonal boron nitride (hBN) using a Korringa-Kohn-Rostoker (KKR) scheme to investigate the shift of the Fermi level by impurity-atom doping below 10 at.%. The dopant atoms were B and N for diamond, Be, Si, and C for…
g-C$_3$N$_4$ is a promising material for hydrogen production from water via photo-catalysis, if we can tune its band gap to desirable levels. Using a combined experimental and ab initio approach, we uncover an almost perfectly linear relationship between the band gap and structural aspects of g-C$_3$N$_4$, which we sh…
We show how to engineer enhanced skew scattering and gap-like opening in the surface state of three-dimensional topological insulators using only non-magnetic impurities. Enhanced skew scattering off non-magnetic impurities is obtained as a finite size effect of the scattering potential. Intimately related to the gene…
Aluminum, as a metallic material for plasmonics, is of great interest because it extends the applications of surface plasmon resonance into the ultraviolet (UV) region and excels noble metals in the natural abundance, cost and compatibility with modern semiconductor fabrication process. Here, we present UV to near-inf…
The refraction properties of phononic crystals are revealed by examining the anti-plane shear waves in doubly periodic elastic composites with unit cells containing rectangular and/or elliptical inclusions. The band-structure, group velocity, and energy-flux vector are calculated using a powerful variational method wh…
All-optical switching based on optical nonlinearity must undergo complex processes of light-mater interaction in atom and electron scale, so a relative high power and long response time is required, that construct main bottlenecks in all-optical technology. In this paper, we propose a new mechanism for building all-op…
Ab initio calculations of the electric polarization of correlation-driven insulating materials, namely, Mott insulators, are lacking. Using a combination of density-functional theory and dynamical mean-field theory we study the electric polarization of the Mott insulator ${\mathrm{Sr}}_{0.5}{\mathrm{Ba}}_{0.5}{\mathrm…
We detected the spin polarization due to charge flow in the spin non-degenerate surface state of a three dimensional topological insulator by means of an all-electrical method. The charge current in the bulk-insulating topological insulator Bi1.5Sb0.5Te1.7Se1.3 (BSTS) was injected/extracted through a ferromagnetic ele…
This article describes the design and development of squaraine-based semiconducting polymer dots (Pdots) that show large Stokes shifts and narrow-band emissions in the near-infrared (NIR) region. Fluorescent copolymers containing fluorene and squaraine units were synthesized and used as precursors for preparing the Pd…
Protein based films are nowadays also prepared with the aim of replacing expensive, crude oil-based polymers as environmentally friendly and renewable alternatives. The protein structure determines the ability of protein chains to form intra- and intermolecular bonds, whereas the degree of cross-linking depends on the…
Much progress has recently been made in the development of active materials, electrode morphologies and electrolytes for lithium ion batteries. Well-defined studies on size effects of the three-dimensional (3D) electrode architecture, however, remain to be rare due to the lack of suitable material platforms where the…
A magnetically recyclable carbon nitride supported Au–Co nanoparticles (Au–Co@CN) displayed exceedingly high photocatalytic activity for hydrolysis of aqueous ammonia borane (NH 3 BH 3, AB) solution. Combined with a synergetic effect between Au and Co nanoparticles, the Motty–Schottky effect at the metal–semiconductor…
Abstract The complex and intriguing properties of the ferrimagnetic half metal magnetite (Fe 3 O 4 ) are of continuing fundamental interest as well as being important for practical applications in spintronics, magnetism, catalysis and medicine. There is considerable speculation concerning the role of the ubiquitous an…
Hybrid materials integrated with a variety of physical properties, such as spin crossover (SCO) and fluorescence, may show synergetic effects that find applications in many fields. Herein we demonstrate a promising post-synthetic approach to achieve such materials by grafting fluorophores (1-pyrenecarboxaldehyde and R…
K <sub>2</sub> Tb <sub>0.5</sub> Eu <sub>0.5</sub> (PO <sub>4</sub> )(WO <sub>4</sub> ) red phosphor with an internal quantum efficiency of 76.45% is produced. Furthermore, the luminescence colour can be tuned from green to red by adjusting the ratio of Tb <sup>3+</sup> and Eu <sup>3+</sup> .
This review describes some important physical characteristics of the pathways (i.e., dynamical processes) by which molecular, nanoscale, and micrometer-scale self-assembly occurs. We highlight the existence of features of self-assembly pathways that are common to a wide range of physical systems, even though those sys…
Fiber electrochemical capacitors show advantages such as light weight and flexibility, and may also be easily integrated or woven into various electronic devices with low cost and high efficiency. In this work, we report the preparation of ZnCo2O4 nanorods on a Ni wire as the fiber electrodes, using a simple and rapid…
Silver nanoparticles are receiving increasing attention in the field of agriculture. This study aims at evaluating the antifungal properties of green synthesised silver nanoparticles (AgNPs) from Aloe vera leaf extract against two pathogenic fungus Rhizopus sp. and Aspergillus sp. Results revealed that synthesised nan…