Complex formation between a weak flexible polyelectrolyte chain and one positively charged nanoparticle in presence of explicit counterions and salt particles is investigated using Monte Carlo simulations. The influence of parameters such as the nanoparticle surface charge density, salt valency, and solution property such as the pH on the chain protonation/deprotonation process and monomer adso...

Nanoparticles are generally considered excellent candidates for targeted drug delivery. However, ion leakage and cytotoxicity induced by nanoparticle permeation is a potential problem in such drug delivery schemes because of the toxic effect of many ions. In this study, we have carried out a series of coarse-grained molecular dynamics simulations to investigate the water penetration, ion transp...

Hot stage in transmission electron microscope has been used to study the structure and stability of Nd-rich phase in NdFeB magnet. The present observation shows that the so-called complex cubic phase is in fact the prototype of Mn2O3 (space group Ia 3) with lattice parameter of a 1⁄4 1:08nm: The Nd-rich phase with P 3m1 structure (h-Nd2O3) was first observed to be transformed from the BCC phase...

A novel cobalt-free Cu1.2Mn1.8O4 spinel coating is prepared and evaluated for the metal interconnect of solid oxide fuel cell. Mn-35Cu and Co-35Mn alloy coatings are deposited on 430 SS substrate and then in-situ oxidized in air at 750 ◦C for 100 h. XRD results confirm that Cu1.2Mn1.8O4 spinel with some Mn2O3 is formed, and the average thickness of the coating is 70–80 μm according to cross sec...

The purpose of this study is to present an “environmental catalyst” possessing both thermocatalytic activity and visible-light activity for the decomposition of organic pollutants. Molecule-sized MnOx clusters are highly dispersed on the surface of TiO2 (anatase/rutile = 4/1 w/w, P-25, Degussa) by the chemisorption-calcination cycle technique using Mn(acac)3 complex as a precursor (MnOx/TiO2). ...

Molecular dynamics (MD) simulations were performed on a model polymer–nanoparticle composite (PNPC) consisting of spherical nanoparticles in a bead-spring polymer melt. The polymer-mediated effective interaction (potential of mean force) between nanoparticles was determined as a function of polymer molecular weight and strength of the polymer–nanoparticle interaction. For all polymer–nanopartic...