Materials Literature
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We present a comparative density functional study of the adsorption of hydrogen on bilayer graphene. Six different exchange-correlation functionals are employed to explore the possible configurations of hydrogen adsorption at 50$%$ coverage. Using the four variants of the nonlocal van der Waals density functional, we…
We demonstrate the electrochemical switching of conformation of surface-bound polymer brushes, by grafting environmentally sensitive polymer brushes from an electrochemically active conducting polymer (ECP). Using atom transfer radical polymerization (ATRP), we grafted zwitterionic betaine homopolymer and block copoly…
BACKGROUND: Poly(4-hydroxybutyrate) [poly(4HB)] is a strong thermoplastic biomaterial with remarkable mechanical properties, biocompatibility and biodegradability. However, it is generally synthesized when 4-hydroxybutyrate (4HB) structurally related substrates such as γ-butyrolactone, 4-hydroxybutyrate or 1,4-butaned…
Here we demonstrate the aqueous synthesis of colloidal nanocrystal heterostructures consisting of the CdTe core encapsulated by CdS/ZnS or CdSe/ZnS shells using glutathione (GSH), a tripeptide, as the capping ligand. The inner CdTe/CdS and CdTe/CdSe heterostructures have type-I, quasi-type-II, or type-II band offsets…
At submonolayer coverage, Mn forms atomic wires on the Si(001) surface oriented perpendicular to the underlying Si dimer rows. While many other elements form symmetric dimer wires at room temperature, we show that Mn wires have an asymmetric appearance and pin the Si dimers nearby. We find that an atomic configuration…
We have investigated the magnetic ordering in the ultrathin c(10$\times$2) CoO(111) film supported on Ir(100) on the basis of ab-initio calculations. We find a close relationship between the local structural properties of the oxide film and the induced magnetic order, leading to alternating ferromagnetically and anti-…
Block copolymer directed self-assembly (DSA) using small guiding templates for contact hole patterning in integrated circuits is reported. Flexible and precise DSA control of 25 nm contact holes guided by 66 nm templates for industry-standard 22 nm static random access memory cells is experimentally demonstrated. For…
In lanthanide-doped materials, energy transfer (ET) between codopant ions can populate or depopulate excited states, giving rise to spectrally pure luminescence that is valuable for the multicolor imaging and simultaneous tracking of multiple biological species. Here, we use the case study of NaYF(4) nanocrystals codo…
Because of their unique properties which are strongly dependent on the physicochemical properties of metal nanomaterials, noble metal nanostructures, particularly silver, have attracted much attention in the fields of electronics, chemistry, physics, biology, and medicine. Regarding biology and medical applications, s…
Observation of growth, synthesis, dynamics, and electrochemical reactions in the liquid state is an important yet largely unstudied aspect of nanotechnology. The only techniques that can potentially provide the insights necessary to advance our understanding of these mechanisms is simultaneous atomic-scale imaging and…
Chirally stacked N-layer graphene with N≥2 is susceptible to a variety of distinct broken symmetry states in which each spin-valley flavor spontaneously transfers charge between layers. In mean-field theory, one of the likely candidate ground states for a neutral bilayer is the layer antiferromagnet that has opposite…
Density functional band calculations have been performed to study LaNiO${}_{3}$/LaAlO${}_{3}$ superlattices. Motivated by recent experiments reporting the magnetic and metal-insulator phase transition as a function of LaNiO${}_{3}$ layer thickness, we examined the electronic structure, magnetic properties, and orbital…
Nanosheets of nickel with thickness equal to 0.6 nm have been grown within the interlayer spaces of Na-4 mica. The sheets are made up of percolative clusters of nanodisks. Magnetization characteristics indicate a superparamagnetic behavior with a blocking temperature of 428 K.The magnetic anisotropy constant as extrac…
The microstructure, electronic structure and chemical bonding of chromium carbide thin films with different carbon contents have been investigated with high-resolution transmission electron microscopy, electron energy loss spectroscopy and soft x-ray absorption-emission spectroscopies. Most of the films can be describ…
Recent experiments showed that unity-order index change in a transparent conducting oxide (TCO) can be achieved in a metal-oxide-semiconductor (MOS) structure by accumulation charge. However, the ultrathin (~5nm) accumulation layer and inherent absorption of TCOs impede the practical applications of this effect. Herei…
We investigate compressive failure of heterogeneous materials on the basis of a continuous progressive damage model. The model explicitely accounts for tensile and shear local damage and reproduces the main features of compressive failure of brittle materials like rocks or ice. We show that the size distribution of da…
Mg-based alloys have recently attracted major interest in view of their potential applications in the aerospace, aircraft and automotive industries. Here, we show that the effects of Y and Zn atoms on their compressibility can be reliably estimated by a simple thermodynamical model deduced by means of first-principles…
By extending our general spin-current model to noncentrosymmetric spin dimers and performing density functional calculations, we investigate the causes for the helical magnetic order and the origin of the giant ferroelectric polarization of CaMn7O12. The giant ferroelectric polarization is proposed to be caused by the…
A gradient-enhanced crystal plasticity model is presented that explicitly accounts for the evolution of the densities of geometrically necessary dislocations (GNDs) on individual slip systems of deforming crystals. The GND densities are fully coupled with the crystal slip rule. Application of the model to two distinct…
Silkworm cocoons have evolved a wide range of different structures and combinations of physical and chemical properties in order to cope with different threats and environmental conditions. We present our observations and measurements on 25 diverse types of cocoons in a first attempt to correlate physical properties w…