108 research outputs found
Surface Structure and Catalytic Oxidation Oscillations
A cellular automaton model is used to describe the dynamics of the catalytic
oxidation of on a surface. The cellular automaton rules account
for the structural phase transformations of the substrate, the reaction
kinetics of the adsorbed phase and diffusion of adsorbed species. The model is
used to explore the spatial structure that underlies the global oscillations
observed in some parameter regimes. The spatiotemporal dynamics varies
significantly within the oscillatory regime and depends on the harmonic or
relaxational character of the global oscillations. Diffusion of adsorbed
plays an important role in the synchronization of the patterns on the substrate
and this effect is also studied.Comment: Latex file with six postscript figures. To appear in Physica
Kinetic hindrance during the initial oxidation of Pd(100) at ambient pressures
The oxidation of the Pd(100) surface at oxygen pressures in the 10^-6 to 10^3
mbar range and temperatures up to 1000 K has been studied in-situ by surface
x-ray diffraction (SXRD). The results provide direct structural information on
the phases present in the surface region and on the kinetics of the oxide
formation. Depending on the (T,p) environmental conditions we either observe a
thin sqrt(5) x sqrt(5) R27 surface oxide or the growth of a rough, poorly
ordered bulk oxide film of PdO predominantly with (001) orientation. By either
comparison to the surface phase diagram from first-principles atomistic
thermodynamics or by explicit time-resolved measurements we identify a strong
kinetic hindrance to the bulk oxide formation even at temperatures as high as
675 K.Comment: 4 pages including 4 figures, Related publications can be found at
http://www.fhi-berlin.mpg.de/th/paper.htm
Oxide formation at the surface of late 4d transition metals: Insights from first-principles atomistic thermodynamics
Using density-functional theory we assess the stability of bulk and surface
oxides of the late 4d transition metals in a ``constrained equilibrium'' with a
gas phase formed of O2 and CO. While the stability range of the most stable
bulk oxide extends for ruthenium well into gas phase conditions representative
of technological CO oxidation catalysis, this is progressively less so for the
4d metals to its right in the periodic system. Surface oxides could
nevertheless still be stable under such conditions. These thermodynamic
considerations are discussed in the light of recent experiments, emphasizing
the role of (surface) oxides as the active phase of model catalysts formed from
these metals.Comment: 7 pages including 3 figures, Related publications can be found at
http://www.fhi-berlin.mpg.de/th/paper.htm
The developmental toxicity of complex silica-embedded nickel nanoparticles is determined by their physicochemical properties
Complex engineered nanomaterials (CENs) are a rapidly developing class of structurally and compositionally complex materials that are expected to dominate the next generation of functional nanomaterials. The development of methods enabling rapid assessment of the toxicity risk associated with this type of nanomaterial is therefore critically important. We evaluated the toxicity of three differently structured nickel-silica nanomaterials as prototypical CENs: simple, surface-deposited Ni-SiO2 and hollow and non-hollow core-shell Ni@SiO2 materials (i.e., ~1â2 nm Ni nanoparticles embedded into porous silica shells with and without a central cavity, respectively). Zebrafish embryos were exposed to these CENs, and morphological (survival and malformations) and physiological (larval motility) endpoints were coupled with thorough characterization of physiochemical characteristics (including agglomeration, settling and nickel ion dissolution) to determine how toxicity differed between these CENs and equivalent quantities of Ni2+ salt (based on total Ni). Exposure to Ni2+ ions strongly compromised zebrafish larva viability, and surviving larvae showed severe malformations. In contrast, exposure to the equivalent amount of Ni CEN did not result in these abnormalities. Interestingly, exposure to Ni-SiO2 and hollow Ni@SiO2 provoked abnormalities of zebrafish larval motor function, indicating developmental toxicity, while non-hollow Ni@SiO2 showed no toxicity. Correlating these observations with physicochemical characterization of the CENs suggests that the toxicity of the Ni-SiO2 and hollow Ni@SiO2 material may result partly from an increased effective exposure at the bottom of the well due to rapid settling. Overall, our data suggest that embedding nickel NPs in a porous silica matrix may be a straightforward way to mitigate their toxicity without compromising their functional properties. At the same time, our results also indicate that it is critical to consider modification of the effective exposure when comparing different nanomaterial configurations, because effective exposure might influence NP toxicity more than specific ânano-chemistryâ effects
New type of microengine using internal combustion of hydrogen and oxygen
Microsystems become part of everyday life but their application is restricted
by lack of strong and fast motors (actuators) converting energy into motion.
For example, widespread internal combustion engines cannot be scaled down
because combustion reactions are quenched in a small space. Here we present an
actuator with the dimensions 100x100x5 um^3 that is using internal combustion
of hydrogen and oxygen as part of its working cycle. Water electrolysis driven
by short voltage pulses creates an extra pressure of 0.5-4 bar for a time of
100-400 us in a chamber closed by a flexible membrane. When the pulses are
switched off this pressure is released even faster allowing production of
mechanical work in short cycles. We provide arguments that this unexpectedly
fast pressure decrease is due to spontaneous combustion of the gases in the
chamber. This actuator is the first step to truly microscopic combustion
engines.Comment: Paper and Supplementary Information (to appear in Scientific Reports
The Paradox of Power in CSR: A Case Study on Implementation
Purpose Although current literature assumes positive outcomes for stakeholders resulting from an increase in power associated with CSR, this research suggests that this increase can lead to conflict within organizations, resulting in almost complete inactivity on CSR.
Methods A single in-depth case study, focusing on power as an embedded concept.
Results Empirical evidence is used to demonstrate how some actors use CSR to improve their own positions within an organization. Resource dependence theory is used to highlight why this may be a more significant concern for CSR.
Conclusions Increasing power for CSR has the potential to offer actors associated with it increased personal power, and thus can attract opportunistic actors with little interest in realizing the benefits of CSR for the company and its stakeholders. Thus power can be an impediment to furthering CSR strategy and activities at the individual and organizational level
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