Materials Literature
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We have investigated the insulator-metal transition (IMT) of the 5$d$ system Sr${}_{2}$IrO${}_{4}$ by optical spectroscopy. Change of the band filling as well as tuning of the spin-orbit interaction (SOI) strength has been realized in single crystalline thin films with continuous cation substitutions. Upon the IMT, th…
N-doped titanium dioxide is one of the most promising materials for photocatalysis in the visible region. The exact location of nitrogen in the host lattice is still under debate. Here, we synthesized a series of N-doped titania nanoparticles. Average Ti nearest neighbors distances were obtained from EXAFS experiments…
The expected potential benefits promised by nanotechnology in various fields have led to a rapid increase of the presence of engineered nanomaterials in a high number of commercial goods. This is generating increasing questions about possible risks for human health and environment, due to the lack of an in-depth asses…
On behalf of the WPI Center for Materials Nanoarchitectonics (MANA), we wish to express our gratitude for the publication of this special issue of Advanced Materials, which highlights the recent research activities of MANA. In this preface, we describe briefly the history, vision, and missions of MANA and then outline…
Using a combination of pulse electron paramagnetic resonance and photoluminescence spectroscopy, we demonstrate the major role of phosphorous rather than aluminium in the rare-earth dissolution process, an essential advance in telecommunication and solid laser fields. Our results also provide new insight into the micr…
Multiple exciton generation and recombination (MEG and MER) dynamics in semiconductor quantum dots (QDs) are simulated using ab initio time-dependent density functional theory in combination with nonadiabatic molecular dynamics. The approach differs from other MEG and MER theories because it provides atomistic descrip…
We employ molecular dynamic simulations to study the reduction process of graphene oxide (GO) in a chemically active environment enriched with hydrogen. We examine the concentration and pressure of hydrogen gas as a function of temperature in which abstraction of oxygen is possible with minimum damage to C-sp(2) bonds…
Experimental studies of the tensile behavior of metallic nanowires show a wide range of failure modes, ranging from ductile necking to brittle/localized shear failure-often in the same diameter wires. We performed large-scale molecular dynamics simulations of copper nanowires with a range of nanowire lengths and provi…
The electronic properties of a graphene–boron nitride (G/BN) bilayer have been carefully investigated by first-principles calculations. We find that the energy gap of graphene is tunable from 0 to 0.55 eV and sensitive to the stacking order and interlayer distances of the G/BN bilayer. By electronic structure analysis…
A simple and reliable method is described to produce inorganic nanoparticles functionalized asymmetrically with domains of hydrophobic and hydrophilic ligands on their respective hemispheres. These amphiphilic, Janus-type particles form spontaneously by a thermodynamically controlled process, in which the particle cor…
X-ray absorption spectroscopy (XAS) is one of the most widely used experimental techniques to study the electronic and spatial structure of materials. Fluorescence yield mode is bulk-sensitive, but has several serious problems coming from saturation effects. In this study, we show the usefulness of partial fluorescenc…
The irreversible thermoremanent magnetization of a sole, magnetically diluted epitaxial antiferromagnetic Co$_{1-y}$O(100) layer is determined by the mean of its thermoremanent magnetizations at positive and negative remanence. During hysteresis-loop field cycling, thermoremanent magnetization exhibits successive redu…
Coral Pt islands films are deposited via electrochemical reduction on silica coated nanostructured Ag electrodes. From these devices surface enhanced (resonance) Raman [SE(R)R] signals of molecules exclusively attached to Pt are obtained with intensities up to 50% of the value determined for Ag. SE(R)R spectroscopic i…
In this letter we present band gaps of II-VI semiconductors, calculated by the full potential linearized augmented plane wave (FP-LAPW) method with the modified Becke-Johnson (mBJ) potential. The accuracy of the calculated results is assessed by comparing them with the experimentally measured values. After careful ana…
Angle-resolved valence-band resonant photoemission of nickel metal has been measured close to the 2p core-level thresholds with synchrotron radiation. The well-known 6-eV correlation satellite has an intensity enhancement of about two orders of magnitude at resonance. The angular dependence of the photoemission intens…
The interpretation of the electronic kinetic processes in the quantum zero dimensional nanostructures is considered. The main mechanism of the processes is supposed to be the interaction of electrons with the optical phonons. An emphasis is put on the recently measured effect of the long-time photoluminescence of quan…
Considering a system composed of two different thermoelectric modules electrically and thermally connected in parallel, we demonstrate that the inhomogeneities of the thermoelectric properties of the materials may cause the appearance of an electrical current, which develops inside the system. We show that this curren…
The anisotropic irreversibility field B$_{Irr}$ of two $YBa_2Cu_3O_{7-x}$ thin films doped with additional rare earth (RE)=(Gd,Y) and Zr and containing strong correlated pins (splayed BaZrO$_{3}$ nanorods, and $RE_2O_3$ nanoprecipitates), has been measured over a very broad range up to 45T at temperatures 56 K
The L2,3 X-ray emission of Cu metal has been measured using monochromatic synchrotron radiation. The self-absorption effect in the spectra is shown to be very small in our experimental geometry. From the quantitative analysis of spectra recorded at different excitation energies, the L3/L2 emission intensity ratio and…
The effect of pressure on structural and thermodynamic properties of ice Ih has been studied by means of path-integral molecular dynamics simulations at temperatures between 50 and 300 K. Interatomic interactions were modeled by using the effective q-TIP4P/F potential for flexible water. Positive (compression) and neg…