Materials Literature
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We utilize periodic density functional theory to study singly and triply N- and B-substituted graphene. We examine their doping mechanisms and effects on Pt atom adsorption and migration on graphene. We find a seemingly contradictory behavior between dopant type (n- vs p-type) and charge accumulation on the dopant ato…
We investigate second-harmonic generation, low-threshold multistability, all-optical switching, and inherently nonlocal effects due to the free-electron gas pressure in an epsilon-near-zero (ENZ) metamaterial slab made of cylindrical, plasmonic nanoshells illuminated by TM-polarized light. Damping compensation in the…
Herein, we present an environmentally benign method capable of mineralization and deposition of nanomaterials to introduce antibacterial functionalities into cotton fabrics under mild conditions. Similar to the way in which many naturally occurring biominerals evolve around the living organism under ambient conditions…
Halloysite is aluminosilicate clay with a hollow tubular structure with nanoscale internal and external diameters. Assessment of halloysite biocompatibility has gained importance in view of its potential application in oral drug delivery. To investigate the effect of halloysite nanotubes on an in vitro model of the la…
Using a combination of single-crystal and powder X-ray diffraction measurements, we study temperature- and pressure-driven structural distortions in zinc(II) cyanide (Zn(CN)2) and cadmium(II) imidazolate (Cd(im)2), two molecular frameworks with the anticuprite topology. Under a hydrostatic pressure of 1.52 GPa, Zn(CN)…
The tunable properties of thermoresponsive physical hydrogels recently found application in catalysis. The most relevant examples are described in this perspective article. Novel concepts are especially highlighted through the beneficial effects of thermoresponsive hydrogels on the catalytic performance. Their scope a…
In this work, effects of oxygen adsorption and diffusion on the stability, morphology, and charge transfer in single-layer graphene with structural point defects were investigated by density functional theory, specifically for the experimentally characterized monovacancy, double-vacancy, 555–777, 5555–6–7777, and Ston…
While the lattice volume in the solid-solution Ba1−xCaxTiO3 decreases with increasing x, the Curie temperature remains unaffected, in contrast to Ba1−xSrxTiO3. We have determined the origin of this phenomenon by comparing the local structures in (Ba,Ca)TiO3 and (Ba,Sr)TiO3. Reverse Monte Carlo refinements of instantan…
We present here a new programmable polymerization route for the synthesis of new conjugated polymers via one-pot reaction route. The three-component polycoupling reactions of terephthalaldehyde and dibenzylamine with 4,4′-diethynyl-1,1′-biphenyl, bis(4-ethynylphenyl)dimethylsilane, 1,2-bis(4-ethynylphenyl)-1,2-dipheny…
Self-assembly of ZnO porous nanosheets with novel parallelogram morphology and high specific surface area is achieved by a one-pot alkalization reaction. The growth mechanism relies on the dual roles of the precursor: providing the building blocks and the assembling template concurrently. This porous structure with ac…
During the solid state foaming, the CO 2 saturated poly(lactic acid) (PLA) sample at 5 MPa and 20 °C has a high crystallinity of 23.2%, and the prepared PLA foams exhibits low foam expansion and nonuniform cell structure. This study presents an interesting effect of nanosilica addition on the cell morphology and expan…
Ideal hydrophobic-hydrophilic composite cavities are highly desired to enhance nucleate boiling. However, it is challenging and costly to fabricate these types of cavities by conventional micro/nano fabrication techniques. In this study, a type of hydrophobic-hydrophilic composite interfaces were synthesized from func…
Aggregated metal nanoparticles have been known to display significantly enhanced two-photon photoluminescence (TPPL) compared to nonaggregated nanoparticles, which could be utilized to develop platforms for two-photon sensing and imaging applications. Here we have conducted single-particle spectroscopic studies on gol…
Over the past decades, our understanding of nacre's toughening origin has long stayed at the level of crack deflection along the biopolymer interface between aragonite platelets. It has been widely thought that the ceramic aragonite platelets in nacre invariably remain shielded from the propagating crack. Here we repo…
The four copper nanoparticles (CuNPs) with the size of 25, 50, 78 and 100 nm and one type of micron-sized particles (MPs) (~500 nm) were exposed to two mammalian (H4IIE and HepG2) and two piscine (PLHC-1 and RTH-149) cell lines to test the species-specific toxicities of CuNPs. The results showed that the morphologies,…
The radio-frequency (RF) voltage amplification property of a tunnel magnetoresistance device driven by an RF external-magnetic-field-induced ferromagnetic resonance was studied. The proposed device consists of a magnetic tunnel junction and an electrically isolated coplanar waveguide. The input RF voltage applied to t…
The development of high performance transparent conducting oxides (TCOs) is critical to many technologies from transparent electronics to solar cells. While n-type TCOs are present in many devices, current p-type TCOs are not largely commercialized as they exhibit much lower carrier mobilities, due to the large hole e…
By means of atomistic simulations, we demonstrate that a dislocation core exhibits intermittent quasistatic restructuring during incremental shear within the same Peierls valley. This can be regarded as a stick-slip transition, which is also reproduced for a one-dimensional Frenkel-Kontorova chain under rigid boundary…
The resistivity and the mobility of Carbon doped GaAs nanowires have been studied for different doping concentrations. Surface effects have been evaluated by comparing upassivated with passivated nanowires. We directly see the influence of the surface: the pinning of the Fermi level and the consequent existence of a d…
The electronic gap structure of the organic molecule N,N′-diphenyl-N,N′-bis(3-methylphenyl)-(1,1′-biphenyl)-4,4′-diamine, also known as TPD, has been studied by means of a Scanning Tunneling Microscope (STM) and by Photoluminescence (PL) analysis. Hundreds of current-voltage characteristics measured at different spots…