Filler-nanocellulose substrate for printed electronics: experiments and model approach to structure and conductivity

Composites made of inorganic filler particles and cellulose nanofibres can be applied as substrates for printed electronics. We have studied the structural properties of these substrates both experimentally and with particle-level modeling approach. Our model describes the skeleton structure formed by pigment particles of varied shapes and size distributions. Nanocellulose is assumed to fill voids of the structure. The model simulations predict quite well the relative changes in measured density, porosity and roughness for kaolin and precipitated calcium carbonate (PCC) pigments. Measured roughness turns out to be higher for kaolin than for PCC. Yet, the measured conductivity of printed lines on kaolin surface is higher than the conductivity on the PCC surface. The simulations reveal a more open surface pore structure for PCC than for kaolin, which leads to stronger absorption of the silver ink, and thus explains the differences in the measured conductivities.     

Diffusion in Energy Conserving Coupled Maps

We consider a dynamical system consisting of subsystems indexed by a lattice. Each subsystem has one conserved degree of freedom (“energy”) the rest being uniformly hyperbolic. The subsystems are weakly coupled together so that the sum of the subsystem energies remains conserved. We prove that the subsystem energies satisfy the diffusion equation in a suitable scaling limit.     

Layer-by-layer deposition of a polythiophene/Au nanoparticles multilayer with effective electrochemical properties

Multilayers consisting of a water soluble polythiophene derivative and Au nanoparticles have been deposited onto different electrode substrates by means of layer-by-layer deposition technique. The assembly of the films has been performed by taking advantage of the electrostatic interactions between the positively charged imidazolic moiety of the polythiophene chain and the negative charges of citrate ions surrounding Au nanoparticles, as well of the affinity of S to Au. The nanoparticles result stably grafted to the organic matrix. The resulting modified electrodes have been characterised through electrochemical, spectroelectrochemical and microscopic techniques. The results evidenced that a high number of individual nanoparticles is present inside the multilayer. The presence of nanoparticles is of chief importance for most effective charge percolation through the multilayer, as suggested by the responses to electroactive probe species in solution. The electrocatalytic performances of the modified electrodes have been tested with respect to the oxidation of ascorbic acid.

     

The interfacial chemistry and energy level structure of a liquid crystalline perylene derivative on Au(1 1 1) and graphite surfaces

We compare the energy level structure of ordered monolayers of N,N′-ditridecyl-3,4,9,10-perylenetetracarboxylic diimide (PTCDI-C13) on Au(1 1 1) and highly oriented pyrolytic graphite (HOPG). Both ultraviolet photoemission spectroscopy and scanning tunneling spectroscopy measurements show the formation of an occupied interface state for PTCDI-C13 on Au(1 1 1), whereas no such state is observed for PTCDI-C13 on HOPG. Comparative density functional theory calculations for various isolated perylene derivatives in the neutral and anionic states are unable to explain differences in observed interface state formation, which suggests that the interface state for PTCDI-C13/Au(1 1 1) is a consequence of a weak chemical interaction of this molecule and the Au substrate.     

Discrete maximum principle for FE solutions of the diffusion-reaction problem on prismatic meshes

In this paper we analyse the discrete maximum principle (DMP) for a stationary diffusion-reaction problem solved by means of prismatic finite elements. We derive geometric conditions on the shape parameters of the prismatic partitions which guarantee validity of the DMP. The presented numerical tests show the sharpness of the obtained conditions.     

Bifidobacterium longum l-Arabinose Isomerase—Overexpression in Lactococcus lactis, Purification, and Characterization

Bifidobacterium longum NRRL B-41409 l-arabinose isomerase (l-AI) was cloned and overexpressed in Lactococcus lactis using a phosphate-depletion-inducible expression system. The purified B. longum l-AI was characterized using d-galactose and l-arabinose as the substrates. The enzyme was active and stable at acidic pH with an optimum at pH 6.0?C6.5. The enzyme showed the highest activity at 55?°C during a 20-min incubation at pH 6.5. The K _m value was 120?mM for l-arabinose and 590?mM for d-galactose. The V _max was 42?U mg^?1 with l-arabinose and 7.7?U mg^?1 with d-galactose as the substrates. The enzyme had very low requirement for metal ions for catalytic activity, but it was stabilized by divalent metal ions (Mg²⁺, Mn²⁺). The enzyme bound the metal ions so tightly that they could not be fully removed from the active site by EDTA treatment. Using purified B. longum l-AI as the catalyst at 35?°C, equilibrium yields of 36?% d-tagatose and 11?% l-ribulose with 1.67?M d-galactose and l-arabinose, respectively, as the substrates were reached.     

Cooperative assistance in bifunctional organocatalysis: enantioselective mannich reactions with aliphatic and aromatic imines

Hold them tight: Guided by X-ray structures, bifunctional thiourea catalysts containing an activating intramolecular hydrogen bond were redesigned. The new catalysts were used to effect a highly enantioselective Mannich reaction between malonates and both aliphatic and aromatic imines (see scheme; Boc=tert-butoxycarbonyl).     

Two‐, One‐, and Zero‐Dimensional Elemental Nanostructures Based on Ge9‐Clusters

We investigated the structural principles of novel germanium modifications derived by oxidative coupling of Zintl‐type [Ge₉]^4?clusters in various ways. The structures, stabilities, and electronic properties of the predicted {²_∞[Ge₉]_n} sheet, {¹_∞[Ge₉]_n} nanotubes, and fullerene‐like {Ge₉}_n cages were studied by using quantum chemical methods. The polyhedral {Ge₉}_n cages are energetically comparable with bulk‐like nanostructures of the same size, in good agreement with previous experimental findings. Three‐dimensional structures derived from the structures of lower dimensionality are expected to shed light on the structural characteristics of the existing mesoporous Ge materials that possess promising optoelectronic properties. Furthermore, 3D networks derived from the polyhedral {Ge₉}_n cages lead to structures that are closely related to the well‐known LTA zeolite framework, suggesting further possibilities for deriving novel mesoporous modifications of germanium. Raman and IR spectra and simulated X‐ray diffraction patterns of the predicted materials are given to facilitate comparisons with experimental results. The studied novel germanium modifications are semiconducting, and several structure types possess noticeably larger band gaps than bulk α‐Ge.