Materials Literature
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An energy cascading structure is designed in a polymer photovoltaic device to suppress recombination and improve quantum yields. By the insertion of a thin polymer interlayer with intermediate energy levels, electrons and holes can effectively shuttle away from each other while being spatially separated from recombina…
Imprinted monolayers have several advantages over bulk imprinted polymers such as excellent mass transfer of molecules into and out of imprinted sites and transduction of binding signals detected in real time. Protein-imprinted self-assembled monolayers (SAMs) were created with multiple binding sites and biocompatible…
ABSTRACT We present the results of the assessment of the intramolecular residue‐residue contact predictions from 26 prediction groups participating in the 10th round of the CASP experiment. The most recently developed direct coupling analysis methods did not take part in the experiment likely because they require a ve…
Arrays of dislocation free uniform Ga-polar GaN columns have been realized on patterned SiO x /GaN/sapphire templates by metal organic vapor phase epitaxy using a continuous growth mode. The key parameters and the physical principles of growth of Ga-polar GaN three-dimensional columns are identified, and their potenti…
PURPOSE: Investigation of increased radiation dose deposition due to gold nanoparticles (GNPs) using a 3D computational cell model during x-ray radiotherapy. METHODS: Two GNP simulation scenarios were set up in Geant4; a single 400 nm diameter gold cluster randomly positioned in the cytoplasm and a 300 nm gold layer a…
Abstract We explore the interrelation between density of states, recombination kinetics, and device performance in efficient poly[4,8‐bis‐(2‐ethylhexyloxy)‐benzo[1,2‐b:4,5‐b']dithiophene‐2,6‐diyl‐alt‐4‐(2‐ethylhexyloxy‐1‐one)thieno[3,4‐b]thiophene‐2,6‐diyl]:[6,6]‐phenyl‐C71‐butyric acid methyl ester (PBDTTT‐C:PC71BM)…
We develop and test a new pipeline in CASP10 to predict protein structures based on an interplay of I-TASSER and QUARK for both free-modeling (FM) and template-based modeling (TBM) targets. The most noteworthy observation is that sorting through the threading template pool using the QUARK-based ab initio models as pro…
By using carbon nanotubes (CNTs) as a shape template and glucose as a carbon precursor and structure-directing agent, CNT@Fe3O4@C porous core/sheath coaxial nanocables have been synthesized by a simple one-pot hydrothermal process. Neither a surfactant/ligand nor a CNT pretreatment is needed in the synthetic process.…
First principle calculations are carried out to investigate the structural, electronic and optical properties of cubic perovskites CsSnM3 (M = Cl, Br, I). The theoretically calculated lattice constants are found to be in good agreement with the experimentally measured values as compared to previous calculations. It is…
UV light-induced surface-initiated atom-transfer radical polymerization (ATRP) was reported. This method uses TiO 2 nanoparticles as photoactive materials to reduce Cu(II)/L to a Cu(I)/L complex under UV irradiation by a one-electron transfer process for ATRP with multiple usage of monomer solutions. The growth of pol…
A regional survey of alkaline springs in Oman and Ligurian ophiolites shows that the alkaline water compositions significantly vary from one ophiolite to the other and within the same ophiolite. The first‐order correlation between the Na (and K) and Cl concentrations points to fluid compositions only partly due to eva…
Here we report the synthesis and ceramic-like processing of a new metal-organic framework (MOF) material, [Cu(bcppm)H2O], that shows exceptionally selective separation for CO2 over N2 (ideal adsorbed solution theory, S(ads) = 590). [Cu(bcppm)H2O]·xS was synthesized in 82% yield by reaction of Cu(NO3)2·2.5H2O with the…
Abstract Recent advances in oxygen reduction reaction catalysis for proton exchange membrane fuel cells (PEMFCs) include i) the use of electrochemical dealloying to produce high surface area and sometimes nanoporous catalysts with a Pt‐enriched outer surface, and ii) the observation that oxygen reduction in nanoporous…
In corals, biocalcification is a major function that may be drastically affected by ocean acidification (OA). Scleractinian corals grow by building up aragonitic exoskeletons that provide support and protection for soft tissues. Although this process has been extensively studied, the molecular basis of biocalcificatio…
Residue depth accurately measures burial and parameterizes local protein environment. Depth is the distance of any atom/residue to the closest bulk water. We consider the non-bulk waters to occupy cavities, whose volumes are determined using a Voronoi procedure. Our estimation of cavity sizes is statistically superior…
Thermally activated delayed fluorescence (TADF) is fluorescence arising from a reverse intersystem crossing (RISC) from the lowest triplet (T1) to the singlet excited state (S1), where these states are separated by a small energy gap (ΔEst), followed by a radiative transition to the ground state (S0). Rate constants r…
Due to the large porosity and unique framework stability, ZIF-8, a representative zeolitic imidazolate based member of metal-organic framework (MOF) family exhibited excellent adsorption capacities for a wide range of gases, including greenhouse gases. Using in situ FTIR spectroscopy, ZIF-8 framework was investigated…
A model is developed for the mobility of a charge carrier along a conjugated polymer dissolved in solution, as measured by time-resolved microwave conductivity. Each unit cell of the polymer is assigned a torsional degree of freedom, with Brownian dynamics used to include the effects of solvent on the torsions. The ba…
The platinum-supported catalysts have been prepared by ethylene glycol reduction method, and the catalysts were applied to the partial oxidation of ethanol (POE) for hydrogen production. Four types of support, including CNTs, Al2O3, ZrO2, and CeO2, were used on POE catalytic performance test. Prior to catalyst prepara…
Network formation of associative semiflexible fibers and mixtures of fibers and colloidal particles is simulated for the Johnson-Kendall-Roberts model of elastic contacts, and a phase diagram in terms of particle elasticity and surface energy is presented. When fibers self-assemble, they form a network for sufficientl…