Gas Responsive Nanoswitch: Copper Oxide Composite for Highly Selective H2S Detection

A nanocomposite material based on copper(II) oxide (CuO) and its utilization as a highly selective and stable gas‐responsive electrical switch for hydrogen sulphide (H₂S) detection is presented. The material can be applied as a sensitive layer for H₂S monitoring, e.g., in biogas gas plants. CuO nanoparticles are embedded in a rigid, nanoporous silica (SiO₂) matrix to form an electrical percolating network of low conducting CuO and, upon exposure to H₂S, highly conducting copper(II) sulphide (CuS) particles. By steric hindrance due to the silica pore walls, the structure of the network is maintained even though the reversible reaction of CuO to CuS is accompanied by significant volume expansion. The conducting state of the percolating network can be controlled by a variety of parameters, such as temperature, electrode layout, and network topology of the porous silica matrix. The latter means that this new type of sensing material has a structure‐encoded detection limit for H₂S, which offers new application opportunities. The fabrication process of the mesoporous CuO@SiO₂ composite as well as the sensor design and characteristics are described in detail. In addition, theoretical modeling of the percolation effect by Monte‐Carlo simulations yields deeper insight into the underlying percolation mechanism and the observed response characteristics.     

Dynamic supply chain design: a Delphi study of drivers and barriers

Supply chain management has both in academia and practice proven its important role to sustain and further develop companies’ competitive advantages. This is with initiatives that focus on cost-efficiencies and turnover improvement. During the last two decades, companies have faced complexity in their supply chains currently with increased global operations. The dynamic business environment forces companies to secure a competitive (re-) design of their supply chains. This paper seeks to advance the understanding on the drivers and barriers for such designs. In total, 39 experts (30 from industrial enterprises, 4 senior supply chain consultants and 5 supply chain management professors) have participated in a four-step Delphi study and have identified main drivers for dynamic supply chain design as being cost reduction, delivery reliability and change in demand for agility. The main barriers are identified as forecasting being too weak, supply chain complexity and product portfolio complexity. In addition, an explorative factor analysis has been carried out to identify how drivers and barriers can be grouped together. Finally, the paper compares the drivers and barriers underlining different competitive strategies.     

Anatomy of Skyrmionic Textures in Magnetic Multilayers

Room temperature magnetic skyrmions in magnetic multilayers are considered as information carriers for future spintronic applications. Currently, a detailed understanding of the skyrmion stabilization mechanisms is still lacking in these systems. To gain more insight, it is first and foremost essential to determine the full real‐space spin configuration. Here, two advanced X‐ray techniques are applied, based on magnetic circular dichroism, to investigate the spin textures of skyrmions in [Ta/CoFeB/MgO]_n multilayers. First, by using ptychography, a high‐resolution diffraction imaging technique, the 2D out‐of‐plane spin profile of skyrmions with a spatial resolution of 10 nm is determined. Second, by performing circular dichroism in resonant elastic X‐ray scattering, it is demonstrated that the chirality of the magnetic structure undergoes a depth‐dependent evolution. This suggests that the skyrmion structure is a complex 3D structure rather than an identical planar texture throughout the layer stack. The analyses of the spin textures confirm the theoretical predictions that the dipole–dipole interactions together with the external magnetic field play an important role in stabilizing sub‐100 nm diameter skyrmions and the hybrid structure of the skyrmion domain wall. This combined X‐ray‐based approach opens the door for in‐depth studies of magnetic skyrmion systems, which allows for precise engineering of optimized skyrmion heterostructures.     

Designing business model development tools for sustainability—a design science study

Electronic Markets - The development of business models that boost fundamental changes in behavior to act more economically, ecologically, and socially is a challenging task because the...     

Morphology- and ion size-induced actuation of carbon nanotube architectures

ABSTRACT

Future adaptive applications require lightweight and stiff materials with high active strain but low energy consumption. A suitable combination of these properties is offered by carbon nanotube-based actuators. Papers made of carbon nanotubes (CNTs) are charged within an electrolyte, which results in an electrical field forming a double-layer of ions at their surfaces and a deflection of the papers can be detected. Until now, there is no generally accepted theory for the actuation mechanism. This study focuses on the actuation mechanism of CNT papers, which represent architectures of randomly oriented CNTs. The samples are tested electrochemically in an in-plane set-up to detect the free strain. The elastic modulus of the CNT papers is analyzed in a tensile test facility. The influence of various ion sizes of water-based electrolytes is investigated.

During the tests, four parameters that have a significant influence on the mechanical performance of CNT papers were identified: the test conditions, the electrical charging, the microstructure and the ion size. All of these influencing factors point to the mechanically weak inter-tube linking at which the actuation seems to take place. Quadratic voltage-strain correlation suggests a combination of electrostatic and volumetric effects as the possible reason for CNT paper actuation.

Abbreviations: CNT: carbon nanotubes; CV: cyclic voltammetry; CVD: chemical vapor deposition; HiPCO: high pressure carbon monoxide; IL: ionic liquid; MWCNT: multi-walled carbon nanotube; MW: multi-walled; NHE: normal hydrogen electrode; PDMS: polydimethylsiloxane; PMMA: polymethylmethacrylate; PPy: polypyrrole; PVDF: polyvinylidenefluoride; SCE: saturated calomel electrode; SWCNT: single-walled carbon nanotube; SW: single-walled; 1M: one molar concentration     

SkaSim – Skalierbare HPC‐Software für molekulare Simulationen in der chemischen Industrie

This article outlines advances in molecular modeling and simulation using massively parallel high‐performance computers (HPC). In the SkaSim project, partners from the HPC community collaborated with users from science and industry. The aim was to optimize the prediction of thermodynamic property data in terms of efficiency, quality and reliability using HPC methods. In this context, various topics were dealt with: atomistic simulation of homogeneous gas bubble formation, surface tension of classical fluids and ionic liquids, multicriteria optimization of molecular models, the development of the molecular simulation codes ls1 mardyn and ms2, atomistic simulation of gas separation processes, molecular membrane structure generators, transport resistors and the evaluation of predictive property data models based on specific mixture types.     

Thermal behavior of mullite between 4 K and 1320 K

The evolution of metric parameters of 2:1 and 3:2 mullites have been measured between 4 K and 1320 K using neutron and X‐ray powder diffraction. Negative thermal expansion was observed at low temperature for the a‐cell parameter and consequently for the cell‐volume, which is more pronounced for 2:1 mullite than those for 3:2 mullite. Each parameter is simulated using Grüneisen first‐order approximation for the zero pressure equation of state at 0 K, where the vibrational energy was calculated using microscopic approach. While the b‐ and c‐cell parameters require only one Debye term, a second Debye spectrum with negative Grüneisen parameter was required to fit the a‐cell parameter as well as the cell volume. At 4 K, 300 K and 1320 K the model, respectively, calculates the volume thermal expansion coefficients of 0.09x10^?6 K^?1, 9x10^?6 K^?1, and 17.3x10^?6 K^?1 for 2:1 mullite, and 0.09x10^?6 K^?1, 8.7x10^?6 K^?1, and 17.3x10^?6 K^?1 for 3:2 mullite. Temperature‐dependent Raman spectra and phonon density of states hint for the possible microscopic sources of the cell contraction at low temperature. A simple polynomial approach is presented to calculate the elastic stiffness coefficients of the 3:2 mullite, which are not available from experiments.     

A five-year study on the heavy-metal pollution of Guanabara Bay sediments (Rio de Janeiro, Brazil) and evaluation of the metal bioavailability by means of geochemical speciation

Surface sediments of the Guanabara Bay (Rio de Janeiro, Brazil) were analyzed by a sequential extraction procedure for Cd, Cr, Cu, Pb, Zn, Mn and Fe, determining their distribution among five geochemical phases and in the nitric acid extractable phase. Bioavailable phases and non-bioavailable phases have been determined in six transects in the bay to define the significant level of pollution due to sediment metal contamination. A multiple correlation showed limited responsibility of Mn and Fe oxides and humic acids in the adsorption process, which allowed discrimination among the different processes and suggested the strong influence of the hydrogen sulfide present in the highly reduced bay bottom environment. The authors suggest the need to avoid disturbing bottom sediment by dredging or by artificial bottom aeration which could result in a rapid worsening of the environment due to the accelerated formation of more soluble oxygenated metal compounds making the toxic metals much more available to the benthic fauna and to the bay biota in general.     

Ausbildung und Beruf

Ausbildung und Beruf

Ausbildung und Beruf