Materials Literature
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We present calculations of the magnetic ground states of Cr trimers in different geometries on top of a Au(111) surface. By using a least square fit method based on a fully relativistic embedded-cluster Green's function method first we determined the parameters of a classical vector-spin model consisting of second and…
\emph{Ab initio} calculations of the structure and electronic density of states (DOS) of the perfect core-shell $Ag_{27}Cu_{7}$ nanoalloy attest to its $D_{5h}$ symmetry and confirm that it has only 6 non-equivalent (2 $Cu$ and 4 $Ag$) atoms. Analysis of bond-length, average formation energy, heat of formation of $Ag_…
Conducting submicron particles are well suited as filler particles in nonconducting polymer matrices to obtain a conducting composite with a low percolation threshold. Going to nanometer-sized filler particles imposes a restriction to the conductivity of the composite, due to the reduction of the density of states inv…
Analyses of temperature- and field-dependent ac susceptibility and magnetization data from a colossal magnetoresistive ${\mathrm{La}}_{0.7}{\mathrm{Ba}}_{0.3}\mathrm{Mn}{\mathrm{O}}_{3}$ single crystal in terms of scaling behavior yield exponent values of $\ensuremath{\delta}=5.5\ifmmode\pm\else\textpm\fi{}0.3$ and $\…
A new kind of fluorenonearylamine derivatives possessing vagarious red-emitting aggregation-induced emission (AIE) characteristics was reported for the first time. On the basis of theoretical calculations and experimental results, the AIE was found to originate from the unique dimer (excimer) specifically in the aggre…
Mussel adhesive proteins have received increased attention as potential biomedical and environmentally friendly underwater adhesives thanks to their fascinating properties, including strong and flexible adhesion, adhesion to various material substrates, water displacement, that they are harmless to human body, and con…
Epitaxial films of graphene on SiC(0001) are interesting from a basic physics as well as an applications-oriented point of view. Here, we study the emerging morphology of in vacuo prepared graphene films using low-energy electron microscopy (LEEM) and angle-resolved photoemission spectroscopy (ARPES). We obtain an ide…
For nanoscale electrical characterization and device fabrication it is often desirable to fabricate planar metal electrodes separated by large aspect ratio gaps with interelectrode distances well below 100 nm. We demonstrate a self-aligned process to accomplish this goal using a thin Cr film as a sacrificial etch laye…
High-yield synthesis of hollow silica spheres with controllable sizes and wall thicknesses can be realized by a modified Stöber method under the control of poly(acrylic acid) (PAA). This synthetic route is involved in the formation of spherical colloid aggregates in ethanol solution, hydrolysis of TEOS under control o…
We report first-principles GW-Bethe Salpeter Equation and Quantum Monte Carlo calculations of the optical and electronic properties of molecular and crystalline rubrene (C$_{42}$H$_{28}$). Many-body effects dominate the optical spectrum and quasi-particle gap of molecular crystals. We interpret the observed yellow-gre…
We report the results of our first-principles study based on density functional theory on the interaction of the nucleic acid base molecules adenine (A), cytosine (C), guanine (G), thymine (T), and uracil (U), with a single-walled carbon nanotube (CNT). Specifically, the focus is on the physisorption of base molecules…
We propose the theory of transport in a gate-tunable graphene $p\text{\ensuremath{-}}n$ junction, in which the gradient of the carrier density is controlled by the gate voltage. Depending on this gradient and on the density of charged impurities, the junction resistance is dominated by either diffusive or ballistic co…
Photon interference among distant quantum emitters is a promising method to generate large scale quantum networks. Interference is best achieved when photons show long coherence times. For the nitrogen-vacancy defect center in diamond we measure the coherence times of photons via optically induced Rabi oscillations. E…
A colorful life: A new class of cyclometalated iridium(III)–polypyridine complexes have been discovered to exhibit environment-sensitive dual emission: In polar and nonpolar media the complexes show green and orange-yellow emission, respectively (see picture). This behavior has been utilized in the development of nove…
Metal−organic frameworks (MOFs) have been the focus of much interest within the context of hydrogen storage and other materials applications. With static metal clusters linked by axially substituted organic spacers capable of experiencing internal rotations, MOFs are one of the most promising amphidynamic materials to…
New surface-modified iron oxide nanoparticles were developed by precipitation of Fe(II) and Fe(III) salts with ammonium hydroxide and oxidation of the resulting magnetite with sodium hypochlorite, followed by the addition of poly( L-lysine) (PLL) solution. PLL of several molecular weights ranging from 146 ( L-lysine)…
We study the changes induced by the effective gauge field due to ripples on the low energy electronic structure of graphene. We show that zero-energy Landau levels will form, associated with the smooth deformation of the graphene layer, when the height corrugation, $h$, and the length of the ripple, $l$, are such that…
The carboxysome is a bacterial microcompartment that functions as a simple organelle by sequestering enzymes involved in carbon fixation. The carboxysome shell is roughly 800 to 1400 angstroms in diameter and is assembled from several thousand protein subunits. Previous studies have revealed the three-dimensional stru…
3D-printed Lunar regolith simulant-based geopolymer composites with bio-inspired sandwich architectures,
Although strong and stiff human-made composites have long been developed, the microstructure of today's most advanced composites has yet to achieve the order and sophisticated hierarchy of hybrid materials built up by living organisms in nature. Clay-based nanocomposites with layered structure can reach notable stiffn…