Materials Literature
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In view of the accidents such as rock mass breakage, roof fall and coal slide in coal mines, polyurethane/mesoscopic fly ash (PU/MFA) reinforcement materials were produced from polymethylene polyphenylene isocyanate (PAPI), the polyether polyol, flame retardant, and MFA using stannous octanate as a catalyst. 3-Glycido…
In our recent efforts to map protein surfaces using mixed-solvent molecular dynamics (MixMD) (Ghanakota, P.; Carlson, H. A. Moving Beyond Active-Site Detection: MixMD Applied to Allosteric Systems. J. Phys. Chem. B 2016, 120, 8685-8695), we were able to successfully capture active sites and allosteric sites within the…
Chitin is one of the most studied biopolymers but the understanding of how it assembles from molecules to microfibers is still limited. Organisms are able to assemble chitin with precise control over polymorphism, texture, and final morphology. The produced hierarchical structure leads to materials with outstanding me…
One step facile synthesis, characterization and antimicrobial properties of Mg-doped CuO nanostructures, Din, Salah Ud, Sajid, Muhammad, Imran, Muhammad, Iqbal, Javed, Shah, Basit Ali, Azeem ullah, Muhammad, Shah, Sufaid
The deep borehole disposal (DBD) concept for certain types of radioactive wastes has been discussed for many decades, but has enjoyed limited R&D interest compared to ‘conventional’ geological disposal in an excavated repository at a few hundreds of metres depth. This article explores the circumstances under which…
The outstanding properties of chalcogenide phase-change materials (PCMs) led to their successful use in innovative resistive memory devices where the material is switched between its amorphous and crystalline phases. However, PCMs are easily oxidized at interfaces. Oxidation is detrimental to device performances. In p…
This paper studies numerically the collapse of a cluster of cavitation bubbles (as a primitive model for a bubble cloud) near a solid wall. The homogeneous two-phase mixture model is used, with the liquid-vapor interface resolved by volume of fluid method. The liquid is treated as compressible, allowing the propagatio…
Abstract Two-dimensional (2D) semiconductors have attracted increasing attention due to their potential application in next generation optoelectronic devices. The chemical vapor deposition (CVD) grown monolayer MoS 2 is widely investigated as photodetector, but low photoresponsivity and slow response time hinder its p…
Nanoporous gold (np-Au) is a catalytically highly active material, prepared by selectively dealloying silver from a gold–silver alloy. It can promote aerobic CO oxidation and a range of other oxidation reactions. It has been debated whether the remarkable catalytic properties of np-Au are mainly due to its structural…
An important segment of the future renewable energy economy is the implementation of novel energy generation systems. Such electrochemical systems are solid oxide fuel cells, which have the advantage of direct conversion of the chemical energy stored in the fuel to electrical energy with high efficiency. Improving the…
Because of the widespread presence of foreign substrates in natural settings, mineral precipitation usually occurs via heterogeneous nucleation. This process is controlled by the interplay between the fluid supersaturation and interfacial energies present between the fluid, nucleus, and substrate. Among a number of ph…
We redeveloped the ReaxFF force field parameters for Si/O/H interactions that enable molecular dynamics (MD) simulations of Si/SiO 2 interfaces and O diffusion in bulk Si at high temperatures, in particular with respect to point defect stability and migration. Our calculations show that the new force field framework (…
In this work, two indazole derivatives, namely 5-aminoindazole (AIA) and 5-nitroindazole (NIA), were investigated as corrosion inhibitors for carbon steel in 1 M HCl solution by experimental and density functional theory (DFT) methods. The electrochemical results indicate that the inhibition ability follows the order…
We propose here a novel multi-layered waveguide liquid crystal (LC) smart window with full color rendering based on a polymer-network liquid crystal system. The inserted position of three-primary-color LED light bars is specially designed, which is parallel to the LC alignment to obtain a higher difference between tra…
Purpose The root of Cynanchum auriculatum Royle ex Wight, known as Baishouwu, has been widely used for a tonic supplement since ancient times. The current study was performed to explore the effect of Baishouwu on the development of experimental hepatocellular carcinoma (HCC) and the potential mechanism involved. Metho…
A series of ten push-pull chromophores comprising 1H-cyclopenta[b]naphthalene-1,3(2H)-dione as the electron-withdrawing group have been designed, synthesized, and characterized by UV-visible absorption and fluorescence spectroscopy, cyclic voltammetry and theoretical calculations. The solvatochromic behavior of the di…
Flavonoids (FLAs) possess anti-cancer, anti-viral, anti-bacterial, and anti-oxidant properties. In this study, gelatin nanoparticles (GNPs) with controllable surface potential and diameter was prepared through a modified two-step desolvation. Two well-known flavonoids, namely, low-molecular weight Genistein (GEN) and…
Abstract In this article, a textile-based metamaterial with broadband microwave absorption was developed using a screen printing technique. The metamaterial has over 90% absorption from 7.39 GHz to 18 GHz. The metamaterial consists of a top layer of the printed structure of commercial conductive inks on various kinds…
A correct description of active sites is a precondition toward reaction mechanism study and catalyst screening. In many cases, high-symmetry and ideally ordered crystalline surfaces are used to represent the reactive sites. However, reaction-induced surface segregation and restructuring weaken the rationality of simpl…
The bioinspired polymer polydopamine is synthesized and deposited on semiconductive glass substrates under different synthesis conditions (pH and oxidant type). Electrochemical methods are used to verify polymer deposition on the substrate and to examine the charge transfer properties of the obtained coatings. The pre…