Schrifttumsberichte

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Tailoring Electron‐Transfer Barriers for Zinc Oxide/C60 Fullerene Interfaces

The interfacial electronic structure between oxide thin films and organic semiconductors remains a key parameter for optimum functionality and performance of next‐generation organic/hybrid electronics. By tailoring defect concentrations in transparent conductive ZnO films, we demonstrate the importance of controlling the electron transfer barrier at the interface with organic acceptor molecules such as C₆₀. A combination of electron spectroscopy, density functional theory computations, and device characterization is used to determine band alignment and electron injection barriers. Extensive experimental and first principles calculations reveal the controllable formation of hybridized interface states and charge transfer between shallow donor defects in the oxide layer and the molecular adsorbate. Importantly, it is shown that removal of shallow donor intragap states causes a larger barrier for electron injection. Thus, hybrid interface states constitute an important gateway for nearly barrier‐free charge carrier injection. These findings open new avenues to understand and tailor interfaces between organic semiconductors and transparent oxides, of critical importance for novel optoelectronic devices and applications in energy‐conversion and sensor technologies.     

Formation Mechanism of Alkyl Nitrites,Valuable Intermediates in C1-Upgrading Chemistry and Oxidation Processes

In this contribution we use computational tools to investigate the reaction of alcohol substrates with reactive nitrogen oxide species such as N₂O₃ and N₂O₄, leading to the formation of alkyl nitrites. These nitrites are interesting intermediates which can be processed to various valuable chemicals such as ketones/aldehydes and dimethyl oxalate while regenerating NO _x . As such, NO _x is used as an oxidation mediator, converting alcohol substrates to more reactive nitrites which can be selectively converted to more desired compounds, closing a catalytic cycle in NO _x species.     

A survey and taxonomy of performance improvement of canonical genetic programming

The genetic programming (GP) paradigm, which applies the Darwinian principle of evolution to hierarchical computer programs, has been applied with breakthrough success in various scientific and engineering applications. However, one of the main drawbacks of GP has been the often large amount of computational effort required to solve complex problems. Much disparate research has been conducted over the past 25 years to devise innovative methods to improve the efficiency and performance of GP. This paper attempts to provide a comprehensive overview of this work related to Canonical Genetic Programming based on parse trees and originally championed by Koza (Genetic programming: on the programming of computers by means of natural selection. MIT, Cambridge, 1992). Existing approaches that address various techniques for performance improvement are identified and discussed with the aim to classify them into logical categories that may assist with advancing further research in this area. Finally, possible future trends in this discipline and some of the open areas of research are also addressed.     

Molecular differentiation of the species of two squid families (Loliginidae and Ommastrephidae) based on a PCR study of the 5S rDNA gene

The present study aimed to demonstrate the effectiveness of the 5s rDNA gene for the identification of commercially-valuable species of cephalopod belonging to the families Loliginidae and Ommastrephidae. Our results demonstrate distinct banding patterns in each of the six species sampled (Loligo surinamensis; Loligo sanpaulensis; Lolliguncula brevis; Sepiotheuthis sepioidea; Ornithoteuthis antillarum; Illex argentinus), as well as diagnostic traits at the genus and probably family levels. The results emphasize the efficiency of the 5s rDNA marker as a low-cost and rapid forensic technique, which not only permits the identification of species, but also differentiation of members of the Loliginidae and Ommastrephidae.