Segmented polymer networks containing amino‐dendrimers

Polymer networks in which poly(propylene imine) dendrimers (Astramol?) are connected to each other by linear polytetrahydrofuran (polyTHF) segments, were prepared by two methods. The first method was a one‐step procedure in which bifunctionally living polyTHF, obtained by initiation of the THF polymerization with trifluoromethane sulfonic anhydride (triflic anhydride), was reacted with an amino‐dendrimer. This reaction was very fast but did not allow formation of the end products. The second method was a two‐step procedure. In a first step, living polyTHF, prepared with acryloyloxybutyl triflate as initiator, was grafted on an amino‐dendrimer, to form a star‐like, acrylate‐terminated polyTHF multi‐macromonomer with the dendrimer as core. In a second step, networks were obtained by Michael addition between the acrylate end‐groups and unreacted amino‐groups of the dendrimer. This cross‐linking reaction occurred spontaneously upon heating of the solution of the multi‐macromonomer with gelation times varying from a few minutes to a few hours, depending on the temperature and the composition of the prepolymers. With this method it was possible to prepare networks in the form of coatings or films. © 2003 Society of Chemical Industry     

Two Isomers of C60F48: Computed Inter-isomeric Equilibrium

C₆₀F₄₈ has been known to exist in two isomeric forms of D₃ and S₆ symmetries. However, the quantum-chemical calculations have not agreed on their stability order though a near-isoenergetic picture is otherwise always encountered. In order to clarify the situation, the entropy effects are evaluated for synthetic temperatures of about 500K. The entropy evaluations suggest that the D₃ isomer should be more stable in the potential energy by 2.05-2.55 kcal/mol (to which term the ab initio data are closer than the semiempirical ones).     

A double-layer current conduction model for high-κ gate dielectric materials with interfacial oxide or silicate layer

The current-voltage (I-V) characteristics of metal-oxide-semiconductor (MOS) structures with hafnium oxide as the gate dielectric film were studied. Sharp shifts from a low-voltage ohmic regime to a tunneling conduction were observed in the high-voltage range. The paper demonstrates that this behavior can be described very well with a double-layer dielectric model. Excellent fittings of the experimental curves were obtained and the related key structural and physical parameters were obtained. The model fitting further suggests the optimal annealing conditions for preparing the hafnium oxide films.     

Algorithm,software, and hardware optimizations for Delaunay mesh generation on simultaneous multithreaded architectures

This article focuses on the optimization of PCDM, a parallel, two-dimensional (2D) Delaunay mesh generation application, and its interaction with parallel architectures based on simultaneous multithreading (SMT) processors. We first present the step-by-step effect of a series of optimizations on performance. These optimizations improve the performance of PCDM by up to a factor of six. They target issues that very often limit the performance of scientific computing codes. We then evaluate the interaction of PCDM with a real SMT-based SMP system, using both high-level metrics, such as execution time, and low-level information from hardware performance counters.     

Comparative Analyses of Medicinal Chemistry and Cheminformatics Filters with Accessible Implementation in Konstanz Information Miner (KNIME)

High-throughput virtual screening (HTVS) is, in conjunction with rapid advances in computer hardware, becoming a staple in drug design research campaigns and cheminformatics. In this context, virtual compound library design becomes crucial as it generally constitutes the first step where quality filtered databases are essential for the efficient downstream research. Therefore, multiple filters for compound library design were devised and reported in the scientific literature. We collected the most common filters in medicinal chemistry (PAINS, REOS, Aggregators, van de Waterbeemd, Oprea, Fichert, Ghose, Mozzicconacci, Muegge, Egan, Murcko, Veber, Ro3, Ro4, and Ro5) to facilitate their open access use and compared them. Then, we implemented these filters in the open platform Konstanz Information Miner (KNIME) as a freely accessible and simple workflow compatible with small or large compound databases for the benefit of the readers and for the help in the early drug design steps.     

Thermal comfort of patients: Objective and subjective measurements in patient rooms of a Belgian healthcare facility

In healthcare facilities, the prediction of mean thermal comfort perception of patients and staff is necessary to formulate requirements for the architectural and building systems design and control, and for establishing guidelines for the use of clothing and bedding systems.     

Large‐area epitaxial silicon solar cells based on industrial screen‐printing processes

Thin‐film epitaxial silicon solar cells are an attractive future alternative for bulk silicon solar cells incorporating many of the process advantages of the latter, but on a potentially cheap substrate. Several challenges have to be tackled before this potential can be successfully exploited on a large scale. This paper describes the points of interest and how IMEC aims to solve them. It presents a new step forward towards our final objective: the development of an industrial cell process based on screen‐printing for > 15% efficient epitaxial silicon solar cells on a low‐cost substrate. Included in the discussion are the substrates onto which the epitaxial deposition is done and how work is progressing in several research institutes and universities on the topic of a high‐throughput epitaxial reactor. The industrial screen‐printing process sequence developed at IMEC for these epitaxial silicon solar cells is presented, with emphasis on plasma texturing and improvement of the quality of the epitaxial layer. Efficiencies between 12 and 13% are presented for large‐area (98 cm²) epitaxial layers on highly doped UMG‐Si, off‐spec and reclaim material. Finally, the need for an internal reflection scheme is explained. A realistically achievable internal reflection at the epi/substrate interface of 70% will result in a calculated increase of 3 mA/cm² in short‐circuit current. An interfacial stack of porous silicon layers (Bragg reflectors) is chosen as a promising candidate and the challenges facing its incorporation between the epitaxial layer and the substrate are presented. Experimental work on this topic is reported and concentrates on the extraction of the internal reflection at the epi/substrate interface from reflectance measurements. Initial results show an internal reflectance between 30 and 60% with a four‐layer porous silicon stack. Resistance measurements for majority carrier flow through these porous silicon stacks are also included and show that no resistance increase is measurable for stacks up to four layers. Copyright © 2005 John Wiley & Sons, Ltd.     

薄膜晶体硅太阳能电池的潜力

如果效率和成本目标能够实现，薄膜晶体硅太阳能电池有潜力替代目前在光伏市场上占主导地位的多晶硅太阳能电池。