Exploring Metal Cluster Catalysts Using Swarm Intelligence: Start with Hydrogen Adsorption

Author(s):  
Yuta Tsuji ◽  
Yuta Yoshioka ◽  
Mikiya Hori ◽  
Kazunari Yoshizawa
Author(s):  
L. T. Germinario

Understanding the role of metal cluster composition in determining catalytic selectivity and activity is of major interest in heterogeneous catalysis. The electron microscope is well established as a powerful tool for ultrastructural and compositional characterization of support and catalyst. Because the spatial resolution of x-ray microanalysis is defined by the smallest beam diameter into which the required number of electrons can be focused, the dedicated STEM with FEG is the instrument of choice. The main sources of errors in energy dispersive x-ray analysis (EDS) are: (1) beam-induced changes in specimen composition, (2) specimen drift, (3) instrumental factors which produce background radiation, and (4) basic statistical limitations which result in the detection of a finite number of x-ray photons. Digital beam techniques have been described for supported single-element metal clusters with spatial resolutions of about 10 nm. However, the detection of spurious characteristic x-rays away from catalyst particles produced images requiring several image processing steps.


Author(s):  
Richard D. Powell ◽  
James F. Hainfeld ◽  
Carol M. R. Halsey ◽  
David L. Spector ◽  
Shelley Kaurin ◽  
...  

Two new types of covalently linked, site-specific immunoprobes have been prepared using metal cluster labels, and used to stain components of cells. Combined fluorescein and 1.4 nm “Nanogold” labels were prepared by using the fluorescein-conjugated tris (aryl) phosphine ligand and the amino-substituted ligand in the synthesis of the Nanogold cluster. This cluster label was activated by reaction with a 60-fold excess of (sulfo-Succinimidyl-4-N-maleiniido-cyclohexane-l-carboxylate (sulfo-SMCC) at pH 7.5, separated from excess cross-linking reagent by gel filtration, and mixed in ten-fold excess with Goat Fab’ fragments against mouse IgG (obtained by reduction of F(ab’)2 fragments with 50 mM mercaptoethylamine hydrochloride). Labeled Fab’ fragments were isolated by gel filtration HPLC (Superose-12, Pharmacia). A combined Nanogold and Texas Red label was also prepared, using a Nanogold cluster derivatized with both and its protected analog: the cluster was reacted with an eight-fold excess of Texas Red sulfonyl chloride at pH 9.0, separated from excess Texas Red by gel filtration, then deprotected with HC1 in methanol to yield the amino-substituted label.


Author(s):  
A. Radhika ◽  
D. Haritha

Wireless Sensor Networks, have witnessed significant amount of improvement in research across various areas like Routing, Security, Localization, Deployment and above all Energy Efficiency. Congestion is a problem of  importance in resource constrained Wireless Sensor Networks, especially for large networks, where the traffic loads exceed the available capacity of the resources . Sensor nodes are prone to failure and the misbehaviour of these faulty nodes creates further congestion. The resulting effect is a degradation in network performance, additional computation and increased energy consumption, which in turn decreases network lifetime. Hence, the data packet routing algorithm should consider congestion as one of the parameters, in addition to the role of the faulty nodes and not merely energy efficient protocols .Nowadays, the main central point of attraction is the concept of Swarm Intelligence based techniques integration in WSN.  Swarm Intelligence based Computational Swarm Intelligence Techniques have improvised WSN in terms of efficiency, Performance, robustness and scalability. The main objective of this research paper is to propose congestion aware , energy efficient, routing approach that utilizes Ant Colony Optimization, in which faulty nodes are isolated by means of the concept of trust further we compare the performance of various existing routing protocols like AODV, DSDV and DSR routing protocols, ACO Based Routing Protocol  with Trust Based Congestion aware ACO Based Routing in terms of End to End Delay, Packet Delivery Rate, Routing Overhead, Throughput and Energy Efficiency. Simulation based results and data analysis shows that overall TBC-ACO is 150% more efficient in terms of overall performance as compared to other existing routing protocols for Wireless Sensor Networks.


2019 ◽  
Author(s):  
Jack Pedersen ◽  
Thomas Batchelor ◽  
Alexander Bagger ◽  
Jan Rossmeisl

Using the high-entropy alloys (HEAs) CoCuGaNiZn and AgAuCuPdPt as starting points we provide a framework for tuning the composition of disordered multi-metallic alloys to control the selectivity and activity of the reduction of carbon dioxide (CO2) to highly reduced compounds. By combining density functional theory (DFT) with supervised machine learning we predicted the CO and hydrogen (H) adsorption energies of all surface sites on the (111) surface of the two HEAs. This allowed an optimization for the HEA compositions with increased likelihood for sites with weak hydrogen adsorption{to suppress the formation of molecular hydrogen (H2) and with strong CO adsorption to favor the reduction of CO. This led to the discovery of several disordered alloy catalyst candidates for which selectivity towards highly reduced carbon compounds is expected, as well as insights into the rational design of disordered alloy catalysts for the CO2 and CO reduction reaction.


2020 ◽  
Vol 86 (8) ◽  
pp. 32-37
Author(s):  
V. V. Larionov ◽  
Xu Shupeng ◽  
V. N. Kudiyarov

Nickel films formed on the surface of zirconium alloys are often used to protect materials against hydrogen penetration. Hydrogen adsorption on nickel is faster since the latter actively interacts with hydrogen, oxidizes and forms a protective film. The goal of the study is to develop a method providing control of hydrogen absorption by nickel films during vacuum-magnetron sputtering and hydrogenation via measuring thermoEMF. Zirconium alloy E110 was saturated from the gas phase with hydrogen at a temperature of 350°C and a pressure of 2 atm. A specialized Rainbow Spectrum unit was used for coating. It is shown that a nickel film present on the surface significantly affects the hydrogen penetration into the alloy. A coating with a thickness of more than 2 μm deposited by magnetron sputtering on the surface of a zirconium alloy with 1% Nb, almost completely protects the alloy against hydrogen penetration. The magnitude of thermoemf depends on the hydrogen concentration in the zirconium alloy and film thickness. An analysis of the hysteresis width of the thermoEMF temperature loop and a method for determining the effective activation energy of the conductivity of a hydrogenated material coated with a nickel film are presented. The results of the study can be used in assessing the hydrogen concentration and, hence, corrosion protection of the material.


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