Materials Literature
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Self-assembly from flexible worm-like threads via bundles of rigid fibers to nanosheets and nanotubes was achieved by covalent conjugation of perylene monoimide (PMI) chromophores with oligoprolines of increasing length. Whereas the chromophoric π-system and the peptidic building block do not self-aggregate, the coval…
La–Nix–Ce1−x mixed oxide catalysts were prepared by a sol–gel method varying the Ni composition (0 ≤ x ≤ 1). The catalysts were characterized by X-ray diffraction (XRD), inductively coupled plasma optical emission spectroscopy (ICP-OES), BET surface area, X-ray photoelectron spectroscopy (XPS), temperature-programmed…
This paper describes a ZnO-nanotaper array sacrificial templated synthetic approach for the fabrication of the arrays of nanotubes with tube-walls assembled by building-blocks of Ag-nanoplates, Au-nanorods, Pt-nanothorns or Pd-nanopyramids, thus possessing high-density 3D “hot spots” in sub-10-nm gaps of neighboring b…
Interfacial buffer layers often attribute the improved device performance in organic optoelectronic device. Herein, a water-soluble hydrochloric acid doped polyanilines (HAPAN) were utilized as p-type electrode buffer layer in highly efficient polymer solar cells (PSC) based on PBDTTT-EFT and several representative po…
We report the intrinsic water contact angle (WCA) of multilayer graphene, explore different methods of cleaning multilayer graphene, and evaluate the efficiency of those methods on the basis of spectroscopic analysis. Highly ordered pyrolytic graphite (HOPG) was used as a model material system to study the wettability…
Efficient and generic enantioselective discrimination of various chiral alcohols is achieved by using surface-enhanced Raman scattering (SERS) spectroscopy through charge-transfer (CT) contributions. The relative intensities of the peaks in the SERS spectra of a chiral selector are strongly dependent on the chirality…
In this article, we report the first observation of nanosecond laser induced transient dual absorption bands, one in the bandgap (TA₁) and another in the sub-bandgap (TA₂) regions of a-Ge₅As₃₀Se₆₅ thin films. Strikingly, these bands are thermally tunable and exhibit a unique contrasting characteristic: the magnitude o…
Cement is the most widely used manufacturing material in the world and improving its toughness would allow for the design of slender infrastructure, requiring less material. To this end, we investigate by means of molecular dynamics simulations the fracture of calcium-silicate-hydrate (C-S-H), the binding phase of cem…
The effect of changes of the Nb content and annealing on charge vs. voltage and current vs. voltage characteristics of SrBi2(Ta,Nb)2O9 film was studied theoretically and experimentally. Theoretical modeling, which takes into account the mobile charged donors impact on the features of charge vs. voltage and current vs.…
The surface of a crystal made of roughly spherical molecules exposes, above its bulk rotational phase transition at T= T$_r$, a carpet of freely rotating molecules, possibly functioning as "nanobearings" in sliding friction. We explored by extensive molecular dynamics simulations the frictional and adhesion changes ex…
Ni${}_{2}$MnGa is a prototypical Heusler alloy where structural, electronic, and magnetic degrees of freedom conspire to produce a large magnetic shape memory effect. The authors demonstrate how the complex interaction between these subsystems can be disentangled by using state-of-the-art time-resolved techniques.
We studied the effect of dopants (Al, Ti, Zr) on the thermal stability of iron-nitride thin films prepared using a dc magnetron sputtering technique. Structure and magnetic characterization of deposited samples reveal that the thermal stability together with soft magnetic properties of iron-nitride thin films get sign…
Quantum mechanics based ab-initio molecular dynamics (MD) simulation schemes offer an accurate and direct means to monitor the time-evolution of materials. Nevertheless, the expensive and repetitive energy and force computations required in such simulations lead to significant bottlenecks. Here, we lay the foundations…
In order to design tougher materials, it is crucial to understand the relationship between their composition and their resistance to fracture. To this end, we investigate the fracture toughness of usual sodium silicate glasses (NS) and complex calcium--silicate--hydrates (CSH), the binding phase of cement. Their atomi…
We investigate topological aspects of sub-nm electron vortex beams upon elastic propagation through atomic scattering potentials. Two main aspects can be distinguished: (i) Significantly reduced delocalization compared to a similar non-vortex beam if the beam centers on an atomic column and (ii) site symmetry dependen…
We point out that in the deep band-inverted state, topological insulators are generically vulnerable against symmetry breaking instability, due to a divergently large density of states of 1D-like exponent near the chemical potential. This feature at the band edge is associated with a novel van Hove singularity resulti…
We demonstrate the engineering of a source of radiation from growing surface plasmons (charge density oscillations) in a composite nano-system. The considered hybrid nano-structure consists of a thick layer of a conducting substrate on whose surface a plasmon mode is activated conjoining a single or pair of thin sheet…
The controlled flow of spin and valley pseudospin is key to future electronics exploiting these internal degrees of freedom of carriers. Here, we discover a universal possibility for generating spin and valley currents by electric bias or temperature gradient only, which arises from the anisotropy of Fermi pockets in…
Ten years have passed since the description of the perovskite to post-perovskite transition in MgSiO3 and its' impact on the mineralogy and rheology of the D" region at the base of the Earth's mantle. Much work has explored the mechanisms operating during this transformation and their influence on seismic response. In…
Dual-mode MRI contrast agents consisting of superparamagnetic iron oxide nanoparticle (SPION) cores and gadolinium ions associated with the ionic chitosan protecting layer were synthesized and studied. Gadolinium ions were introduced into the coating layer via direct complex formation on the nanoparticles surface, cov…