Materials Literature
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We report a multiscale modeling approach to study static and dynamical properties of polymer melts at large time and length scales. We use a bottom-up approach consisting of deriving coarse-grained models from an atomistic description of the polymer melt. We use the iterative Boltzmann inversion (IBI) procedure and a…
Abstract A systematical study of drift and parallel current effects is reported based on the analysis of the simulations by the B2SOLPS5.2 transport code. It is demonstrated that divertor asymmetry is caused or amplified by the poloidal drift and parallel thermal current.
Understanding how cells move, change shape, and alter cellular behaviors to form organs, a process termed morphogenesis, is one of the great challenges of developmental biology. Formation of the Caenorhabditis elegans vulva is a powerful, simple, and experimentally accessible model for elucidating how morphogenetic pr…
$\mathrm{RE}$Ba${}_{2}$Cu${}_{3}$O${}_{x}$ (REBCO) films can achieve remarkably high critical current density ${J}_{c}$ values by the incorporation of insulating nanoparticles. A particularly interesting case concerns BaZrO${}_{3}$ (BZO) nanorods which strongly enhance ${J}_{c}$ at high temperatures and fields up to a…
Abstract A new strategy to achieve large‐scale, three‐dimensional (3D) micro‐ and nanostructured surface patterns through selective electrochemical growth on monolayer colloidal crystal (MCC) templates is reported. This method can effectively create large‐area (>1 cm2), 3D surface patterns with well‐defined structures…
Modeling individual free electrons can be important in the simulation of discharge streamers. Stochastic fluctuations in the electron density can accelerate the branching of streamers. In negative streamers, energetic electrons can even 'run away' and contribute to processes such as terrestrial gamma-ray and electron…
When the tip of a fluoride glass fiber is exposed to ambient air, water vapor reacts with the glass constituents, increasing the OH contaminants at the surface. These OH impurities then diffuse inside the glass according to Fick's laws. Laser radiation at around 3 µm is strongly absorbed by the OH contaminants, causin…
Sensor antenna: Functionalization of a new robust mesoporous MOF DUT-25 (Dresden University of Technology) is realized by simple liquid-phase adsorption of a stimuli-responsive guest molecule. It leads to a new multifunctional composite [email protected] material with solvatochromic behavior (see figure).
A periodically aligned Pt nanocup array is employed as a counter electrode in dye-sensitized solar cells (DSSCs). The Pt nanocup array enhances the catalytic area, which results in a greater fill factor (FF) and higher short-circuit current (Jsc). A higher density of nanocups is preferable for the performance of DSSCs.
We have developed a new heptacyclic benzodi(cyclopentadithiophene) ( BDCPDT ) unit, where 3,7-positions of the central benzo[1,2- b:4,5- b ′]dithiophenes ( BDT ) subunit are covalently rigidified with 3-positons of the two external thiophenes by two carbon bridges, forming two external CPDT rings that share two thioph…
The initiator full configuration interaction quantum Monte Carlo (i-FCIQMC) method has recently been developed as a highly accurate stochastic electronic structure technique. It has been shown to calculate the exact basis-set ground state energy of small molecules, to within modest stochastic error bars, using tractab…
A novel near-infrared (NIR) emissive lanthanide-based zinc sensor was designed, based on the self-assembly in aqueous solution between the nonemissive coordinatively unsaturated Yb(III) cyclen complex 2·Yb and the sulfonated 8-hydroxyquinoline (8-HQS) chromophore, which was employed as a sensitizing antenna. The resul…
Abstract TiO2 hollow nanowires (HNWs) and nanoparticles (NPs) constitute promising architectures for QDs sensitized photoanodes for H2 generation. We sensitize these structures with CdS/CdSe quantum dots by two different methods (chemical bath deposition, CBD and succesive ionic layer adsorption and reaction, SILAR) a…
Genetically encoded phosphoserine incorporation programmed by the UAG codon was achieved by addition of engineered elongation factor and an archaeal aminoacyl-tRNA synthetase to the normal Escherichia coli translation machinery (Park et al., 2011) Science 333, 1151). However, protein yield suffers from expression of t…
Dorsal root ganglia (DRG) neurons spontaneously undergo neurite growth after nerve injury. MicroRNAs (miRNAs), as small, non-coding RNAs, negatively regulate gene expression in a variety of biological processes. The roles of miRNAs in the regulation of responses of DRG neurons to injury stimuli, however, are not fully…
Manganese oxides are cost-effective and green materials with rich electrochemical properties. Continuous research efforts have been undertaken to obtain MnO x materials with improved activity and stability for catalyzing the oxygen reduction reaction (ORR). Here, we have developed a novel ORR catalyst by nucleation an…
In one fell swoop, polyrotaxanes comprising up to 64 rings can be synthesized as a result of cucurbit[6]uril-templated 1,3-dipolar azide-alkyne cycloadditions accelerated in the presence of cyclodextrins as a consequence of self-sorting and positive cooperativity, brought about by hydrogen bonding. Mixing six componen…
A novel strategy for the synthesis of fully conjugated donor-acceptor block copolymers, in a single reaction step employing Stille coupling polymerization of end-functional polythiophene and AA + BB monomers, is presented. The unique donor-acceptor structure of these block copolymers provides a rich self-assembly beha…
Many candidate materials for photoelectrochemical water splitting will be better employed by decoupling optical absorption from carrier transport. A promising strategy is to use multiple thin absorber layers supported on transparent, conducting materials; however there are limited such materials that are both pH stabl…
As one of the most important research areas in lithium-ion batteries (LIBs), well-designed nanostructures have been regarded as key for solving problems such as lithium ion diffusion, the collection and transport of electrons, and the large volume changes during cycling processes. Here, hierarchical graphene-wrapped T…