Materials Literature
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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…
Forget about ‘the’ solution. Instead, we need to work toward a strong, sustainable mosaic of many solutions.
Abstract The effects of elastomer type on the morphology, flammability, and mechanical properties of high‐impact polystyrene (HIPS)/polystyrene (PS)‐encapsulated magnesium hydroxide (MH) were investigated. The ternary composites were characterized by cone calorimetry, mechanical testing, and scanning electron microsco…
It is demonstrated with powerful evidence that the extraordinary transmission of a metallic grating is undoubtedly due to the excitation of standing surface plasma waves in the Fabry-Perot like resonator. This is the first time that the strong standing waves set up in the groove of a sub-wavelength double-layer gratin…
Abstract Tungsten oxide thin films with protons intercalated during deposition (H x WO 3 ) were prepared using reactive direct‐current magnetron sputtering in a gas mixture of argon, oxy‐gen, and hydrogen. The as‐deposited films were tungsten bronze. The concentration of intercalated protons, given by the x ‐values in…
The crystal structure of the mineral lautite (copper arsenic sulfide), CuAsS, previously described as either centrosymmetric [Pnma; Marumo & Nowacki (1964 ▶). Schweiz. Miner. Petro. Mitt.44, 439-454] or noncentrosymmetric [Pna2(1); Craig & Stephenson (1965 ▶). Acta Cryst.19, 543-547], was reinvestigated by means of si…
Abstract The evolution of the ceria‐praseodymia mixed oxide promoter throughout the successive steps involved in the preparation of a 3% Rh/25% Ce 0.8 Pr 0.2 O 2− x /Al 2 O 3 –3.5% SiO 2 catalyst is studied with the help of X‐ray diffraction (XRD), spatially resolved electron energy loss spectroscopy (EELS), XPS, and…
Thermodynamic properties of molten Al-Mn, Al-Cu and Al-Fe-Cu alloys in a wide temperature range of 1123-1878 K and the whole range of concentrations have been studied using the integral effusion method and Knudsen mass spectrometry. Thermodynamic functions of melts were described by the associated solution model. The…
The complex charge ordering phenomena for polycrystalline La(1-x)Sr(x)FeO(3) (1/3≤x≤2/3) have been studied by measuring the low temperature magnetization, resistivity and the longitudinal ultrasonic velocity (V(l)). At low doping levels (1/3≤x≤0.5), a dramatic velocity increase is observed below 210 K, and the relativ…
Abstract The improvement of the properties of commingled plastics was carried out with a prototype blend of Mexican municipal plastic waste with and without poly(vinyl chloride) (PVC). Compatibilizing agents such as high‐density, low‐density, and linear low‐density polyethylenes modified with maleic anhydride were use…