Materials Literature
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We critically discuss the application of the Wertheim’s theory to classes of complex associating fluids that can be today engineered in the laboratory as patchy colloids and to the prediction of their peculiar gas–liquid phase diagrams. Our systematic study, stemming from perturbative version of the theory, allows us…
Evolutionary structure searches predict three new phases of iodine polyhydrides stable under pressure. Insulating P1-H5I, consisting of zigzag chains of HI (delta+)and H2(delta-) molecules, is stable between 30-90 GPa. Cmcm-H2I and P6/mmm-H4I are found on the 100, 150 and 200 GPa convex hulls. These two phases are goo…
We demonstrate a bottom-up synthesis of structures similar to graphene oxide via a two dimensional polymerization. Experimental evidence and discussion are conveyed as well as a general framework for this two dimensional polymerization. The proposed morphologies and lattice structures of these graphene oxides are deri…
The article presents an experimental study of an issue of whether the formation of arrays of Ge quantum dots on the Si(001) surface is an equilibrium process or it is kinetically controlled. We deposited Ge on Si(001) at the room temperature and explored crystallization of the disordered Ge film as a result of anneali…
Recently, phosphorene electronic and optoelectronic prototype devices have been fabricated with various metal electrodes. We systematically explore for the first time the contact properties of monolayer (ML) phosphorene with a series of commonly used metals (Al, Ag. Cu, Au, Cr, Ni, Ti, and Pd) via both ab initio elect…
The tendency for nitrogen deficiency in cubic Cr-Mo-N and Cr-W-N solid solutions is predicted by a comprehensive evaluation of the lattice spacing, mixing thermodynamics, and elastic properties using first-principles calculations and experimentally confirmed by means of X-ray diffraction. A major conclusion is that th…
An effective method, performed adding external electric field (EEF) on CH3NH3PbI3-xClx (OPIC) perovskite layer during the annealing process, is proposed to improve the performance of the solar cell. By harmonizing EEF direction with the hole/electron modified layer, a significant improvement on the short circuit curre…
We propose a family of free fermion lattice models that have "Dirac loops", closed lines of Dirac nodes in momentum space, on which the density of states vanishes linearly with energy. Those lattices all possess the planar trigonal connectivity present in graphene, but are three dimensional. We show that their highly…
HgCdTe at a critical cadmium doping has a bulk dispersion which includes two linear cones meeting at a single point at zero energy, intersecting a nearly flat band, similar to the pseudospin-1 Dirac-Weyl system. In the presence of a finite magnetic field, these bands condense into highly degenerate Landau levels. We h…
High-efficiency upconverted light would be a desirable stimulus for triggered drug delivery. Here we present a general strategy to achieve photoreactions based on triplet-triplet annihilation upconversion (TTA-UC) and Förster resonance energy transfer (FRET). We designed PLA-PEG micellar nanoparticles containing in th…
The drug-loading properties of nanocarriers depend on the chemical structures and properties of their building blocks. Here we customize telodendrimers (linear dendritic copolymer) to design a nanocarrier with improved in vivo drug delivery characteristics. We do a virtual screen of a library of small molecules to ide…
The properties of Ag nanoclusters are not as well understood as those of their more precious Au cousins. However, a recent surge in the exploration of strategies to tune the physicochemical characteristics of Ag clusters addresses this imbalance, leading to new insights into their optical, luminescence, crystal habit,…
Controlling nanoparticles with atomic precision has long been a major dream of nanochemists. This dream has first been realized in the case of gold nanoparticles. We previously discussed a size-focusing methodology for the syntheses of atomically precise gold nanoclusters protected by thiolate ligands (referred to as…
We report the synthesis and crystal structure of a new high-temperature form of Ca3P2. The crystal structure was determined through Rietveld refinements of synchrotron powder x-ray diffraction data. This form of Ca3P2 has a crystal structure of the hexagonal Mn5Si3 type, with a Ca ion deficiency compared to the ideal…
ADVERTISEMENT RETURN TO ISSUEPREVReviewNEXTLight-Emitting Self-Assembled Materials Based on d8 and d10 Transition Metal ComplexesVivian Wing-Wah Yam*, Vonika Ka-Man Au, and Sammual Yu-Lut LeungView Author Information Institute of Molecular Functional Materials (Areas of Excellence Scheme, University Grants Committee (…
At Goddard he studied nucleation phenomenon, specifically vapor to particle conversion of metals in a gas evaporation condensation chamber. At the end of his Ph.D.
The effect of the addition of stereocomplex polylactide with different contents and particle sizes to a poly(lactide-co-glycolide) matrix was investigated. The organic filler stereocomplex polylactide affects the mechanical properties of poly(lactide-co-glycolide) as an organic nucleating agent without any surface mod…
This paper studies the ballistic limit velocity of empty rectangular columns under a blunt projectile penetration, theoretically and numerically. The deformation mechanism of the empty column is considered as plugging. The projectile is assumed to be a flat-ended cylinder without deformation. A new theoretical model o…
ABSTRACT A novel mixer‐vane mixer which is based on elongation flow was used to prepare high‐density polyethylene (HDPE)/montmorillonite (MMT) nanocomposites without any additives. The effect of elongation flow on MMT intercalating in HDPE matrix was studied in terms of rotor speed and mixing time. X‐ray diffraction a…
In this paper, we define and experimentally verify thermodynamic characteristics of the liquid-glass transition, taking into account a kinetic origin of the process. Using the density scaling law and the four-point measure of the dynamic heterogeneity of molecular dynamics of glass forming liquids, we investigate cont…