Materials Literature
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We study numerically the phase diagram and the response under a driving force of the phase field crystal model for pinned lattice systems introduced recently for both one- and two-dimensional systems. The model describes the lattice system as a continuous density field in the presence of a periodic pinning potential,…
We study the bonding and diffusion of Au in graphene vacancies using density-functional theory. Energetics show that Au adsorbs preferably to double vacancies, steadily in-plane with graphene. All diffusion barriers for the complex of Au in double vacancy are above 4 eV, whereas the barriers for larger vacancies are b…
The possibilities to tune the structure of solid like material resulting from arrested spinodal decomposition is investigated using a system composed of lysozyme, a globular protein, dispersed in a water solution as model system for colloids with short range attraction. It is shown that the resulting arrested spinodal…
The mechanism of the ring-opening polymerization of rac -β-butyrolactone using yttrium complexes supported by dianionic aminoalkoxybis(phenolate) ligands as initiators has been investigated by NMR and shown to occur via a coordination-insertion pathway. The microstructure of the resulting syndiotactic-enriched poly(3-…
Stable water-suspendable Cu+-doped ZnS nanocrystals (NCs) have been synthesized with mercaptopropionic acid (MPA) as a capping molecule. The nanocrystals have been characterized using a combination of experimental techniques including UV-vis and photoluminescence (PL) spectroscopy, X-ray diffraction (XRD), transmissio…
In the past decade nanowires have attracted an increase interest because of their extraordinary mechanical strength. In fact, material properties in the nanoregime are extremely different from those found in macroscopic samples: few crystalline materials have shown a tensile strength in excess of 10 GPa in the form of…
We study the behavior of charge carriers in graphene in inhomogeneous perpendicular magnetic fields. We consider two types of one-dimensional magnetic profiles, uniform in one direction: a sequence of $N$ magnetic barriers and a sequence of alternating magnetic barriers and wells. In both cases, we compute the transmi…
In this paper, a supercapacitor with the features of optical transparency and mechanical flexibility has been fabricated using metal oxide nanowire/carbon nanotube heterogeneous film, and studies found that the power density can reach 7.48 kW/kg after galvanostatic measurements. In addition, to study the stability of…
Lead-free K1−xNaxNbO3 ceramics with x=0.48–0.54 were prepared by a conventional solid-state reaction method to investigate the influence of the K/Na ratio on phase structures and electrical properties. The results suggest that a typical morphotropic phase boundary exists at x=0.52–0.525, separating the monoclinic and…
We study multiple exciton generation (MEG) in two series of chemically treated PbSe nanocrystal (NC) films. We find that the average number of excitons produced per absorbed photon varies between 1.0 and 2.4 (+/-0.2) at a photon energy of approximately 4E(g) for films consisting of 3.7 nm NCs and between 1.1 and 1.6 (…
We report a general synthetic approach to tetrapod-shaped colloidal nanocrystals made of various combinations of II-VI semiconductors. Uniform tetrapods were prepared using preformed seeds in the sphalerite structure, onto which arms were grown by coinjection of the seeds and chemical precursors into a hot mixture of…
According to recent experiments and predictions, the orientation of the polarization at the surface of a ferroelectric material can affect its surface chemistry. Here we demonstrate the converse effect: the chemical environment can control the polarization orientation in a ferroelectric film. In situ synchrotron x-ray…
Nanoparticles are typically in contact with another surface through weak van der Waals force. Thermal transport in these nanostructured systems is mainly limited by the contact resistance (Rc). Rc of nanoparticles have been typically calculated using the traditional acoustic or diffuse mismatch models, which assume ve…
We present a metal-catalyst-free CVD process for the high-efficiency growth of single-walled carbon nanotubes (SWNTs) on surface. By applying a 30-nm-thick SiO(2) sputtering deposited Si or Si/SiO(2) wafer as substrate and CH(4) as a carbon source, dense and uniform SWNT networks with high quality can be obtained with…
We present a study on the magnetic properties of naked and silica-coated Fe3O4 nanoparticles with sizes between 5 and 110 nm. Their efficiency as heating agents was assessed through specific power absorption (SPA) measurements as a function of particle size and shape. The results show a strong dependence of the SPA wi…
We study stress relaxation in bi-disperse entangled polymer solutions. Shorter chains embedded in a majority of longer ones are known to be oriented by coupling to them. We analyze the mechanism for this both by computer simulation and theoretically. We show that the results can be understood in terms of stress fluctu…
We propose a generalized gradient approximation (GGA) for the angle- and system-averaged exchange-correlation hole of a many-electron system. This hole, which satisfies known exact constraints, recovers the PBEsol (Perdew-Burke-Ernzerhof for solids) exchange-correlation energy functional, a GGA that accurately describ…
We present an X-ray photoemission study of the heavy-fermion system CeCu$_{6-x}$Au$_x$ across the magnetic quantum phase transition of this compound at temperatures above the single-ion Kondo temperature $T_K$. In dependence of the Au concentration $x$ we observe a sudden change of the $f$-occupation number $n_f$ and…
We present a detailed study of the coupling-constant-averaged exchange-correlation hole density at a jellium surface, which we obtain in the random-phase approximation (RPA) of many-body theory. We report contour plots of the exchange-only and exchange-correlation hole densities, the integration of the exchange-correl…
The Sac10b protein family, also known as Alba, is widely distributed in Archaea. Sac10b homologs in thermophilic Sulfolobus species are very abundant. They bind both DNA and RNA with high affinity and without sequence specificity, and their physiological functions are still not fully understood. Mma10b from the euryar…