This book covers methodological developments and new applications of nanopatterned and nanoparticle-modified electrodes for analytical detection, surface spectroscopy, electrocatalysis and ...fundamental understanding of the relation between the electrode structure and its function.
In Volume XV in the series "Advances in Electrochemical Science and Engineering" various leading experts from the field of electrochemical engineering share their insights into how different ...experimental and computational methods are used in transferring molecular-scale discoveries into processes and products. Throughout, the focus is on the engineering problem and method of solution, rather than on the specific application, such that scientists from different backgrounds will benefit from the flow of ideas between the various subdisciplines. A must-read for anyone developing engineering tools for the next-generation design and control of electrochemical process technologies, including chemical, mechanical and electrical engineers, as well as chemists, physicists, biochemists and materials scientists.
We present an exact and efficient algorithm for reaction–diffusion–nucleation processes on a 2D-lattice. The algorithm makes use of first passage time (FPT) to replace the computationally intensive ...simulation of diffusion hops in KMC by larger jumps when particles are far away from step-edges or other particles. Our approach computes exact probability distributions of jump times and target locations in a closed-form formula, based on the eigenvectors and eigenvalues of the corresponding 1D transition matrix, maintaining atomic-scale resolution of resulting shapes of deposit islands. We have applied our method to three different test cases of electrodeposition: pure diffusional aggregation for large ranges of diffusivity rates and for simulation domain sizes of up to 4096×4096 sites, the effect of diffusivity on island shapes and sizes in combination with a KMC edge diffusion, and the calculation of an exclusion zone in front of a step-edge, confirming statistical equivalence to standard KMC simulations. The algorithm achieves significant speedup compared to standard KMC for cases where particles diffuse over long distances before nucleating with other particles or being captured by larger islands.
Electrocatalysis Alkire, Richard C; Kolb, Dieter M; Lipkowski, Jacek
2014, 2013-12-16, Letnik:
14
eBook
Catalysts speed up a chemical reaction or allow for reactions to take place that would not otherwise occur. The chemical nature of a catalyst and its structure are crucial for interactions with ...reaction intermediates. An electrocatalyst is used in an electrochemical reaction, for example in a fuel cell to produce electricity. In this case, reaction rates are also dependent on the electrode potential and the structure of the electrical double-layer. This work provides a valuable overview of this rapidly developing field by focusing on the aspects that drive the research of today and tomorrow. Key topics are discussed by leading experts, making this book a must-have for many scientists of the fi eld with backgrounds in different disciplines, including chemistry, physics, biochemistry, engineering as well as surface and materials science. This book is volume XIV in the series "Advances in Electrochemical Sciences and Engineering".
The book sets the standard on carbon materials for electrode design. For the first time, the leading experts in this field summarize the preparation techniques and specific characteristics together ...with established and potential applications of the different types of carbon-based electrodes. An introductory chapter on the properties of carbon together with chapters on the electrochemical characteristics and properties of the different modifications of carbon such as carbon nanotubes, graphene, carbon fiber, diamond or highly ordered pyrolytic graphite provide the reader with the basics on this fascinating and ubiquitous electrode material. Cutting-edge technologies such as carbon electrodes in efficient supercapacitors, Li-ion batteries and fuel cells, or electrodes prepared by screen-printing are discussed, giving a complete but concise overview about the topic. The clearly structured book helps newcomers to grasp easily the principles of carbon-based electrodes, while researchers in fundamental and applied electrochemistry will find new ideas for further research on related key technologies.
A hybrid multiscale kinetic Monte Carlo (HMKMC) method for speeding up the simulation of copper electrodeposition is presented. The fast diffusion events are simulated deterministically with a ...heterogeneous diffusion model which considers site-blocking effects of additives. Chemical reactions are simulated by an accelerated (tau-leaping) method for discrete stochastic simulation which adaptively selects exact discrete stochastic simulation for the appropriate reaction whenever that is necessary. The HMKMC method is seen to be accurate and highly efficient.
Dieter M. Kolb (1942-2011) Kibler, Ludwig A.; Alkire, Richard C.
Angewandte Chemie (International ed.),
12/2011, Letnik:
50, Številka:
50
Journal Article
DieterM. Kolb (1942-2011) Kibler, Ludwig A; Alkire, Richard C
Angewandte Chemie International Edition,
12/2011, Letnik:
50, Številka:
50
Journal Article
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