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Computational studies on fuel cell-related issues are increasingly common. These studies range from engineering level models of fuel cell systems and stacks to molecular level, electronic structure calculations on the behavior of membranes and catalysts, and everything in between. This volume explores this range. It is appropriate to ask what, if anything, does this work tell us that we cannot deduce intuitively? Does the emperor have any clothes? In answering this question resolutely in the affirmative, I will also take the liberty to comment a bit on what makes the effort worthwhile to both the perpetrator(s) of the computational study (hereafter I will use the blanket terms modeler and mo...
Proton conduction can be found in many different solid materials, from organic polymers at room temperature to inorganic oxides at high temperature. Solid state proton conductors are of central interest for many technological innovations, including hydrogen and humidity sensors, membranes for water electrolyzers and, most importantly, for high-efficiency electrochemical energy conversion in fuel cells. Focusing on fundamentals and physico-chemical properties of solid state proton conductors, topics covered include: Morphology and Structure of Solid Acids Diffusion in Solid Proton Conductors by Nuclear Magnetic Resonance Spectroscopy Structure and Diffusivity by Quasielastic Neutron Scattering Broadband Dielectric Spectroscopy Mechanical and Dynamic Mechanical Analysis of Proton-Conducting Polymers Ab initio Modeling of Transport and Structure Perfluorinated Sulfonic Acids Proton-Conducting Aromatic Polymers Inorganic Solid Proton Conductors Uniquely combining both organic (polymeric) and inorganic proton conductors, Solid State Proton Conductors: Properties and Applications in Fuel Cells provides a complete treatment of research on proton-conducting materials.
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"Energy Technology, Physical Electrochemistry and Battery Divisions."
Faculties, publications and doctoral theses in departments or divisions of chemistry, chemical engineering, biochemistry and pharmaceutical and/or medicinal chemistry at universities in the United States and Canada.
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Multifunctional Inorganic Nanomaterials for Energy Applications provides deep insight into the role of multifunctional nanomaterials in the field of energy and power generation applications. It mainly focuses on the synthesis, fabrication, design, development, and optimization of novel functional inorganic nanomaterials for energy storage and saving devices. It also covers studies of inorganic electrode materials for supercapacitors, membranes for batteries and fuel cells, and materials for display systems and energy generation. Features: Explores computational and experimental methods of preparing inorganic nanomaterials and their multifunctional applications Includes synthesis and performance analysis of various functional nanomaterials for energy storage and saving applications Reviews current research directions and latest developments in the field of energy materials Discusses importance of computational techniques in designing novel nanomaterials Highlights importance of multifunctional applications of nanomaterials in the energy sector This book is aimed at graduate students and researchers in materials science, electrical engineering, and nanomaterials.
Topics in Number 50 include: " Investigation of alloy cathode Electrocatalysts " A model Hamiltonian that incorporates the solvent effect to gas-phase density functional theory (DFT) calculations " DFT-based theoretical analysis of ORR mechanisms " Structure of the polymer electrolyte membranes (PEM) " ORR investigated through a DFT-Green function analysis of small clusters " Electrocatalytic oxidation and hydrogenation of chemisorbed aromatic compounds on palladium Electrodes " New models that connect the continuum descriptions with atomistic Monte Carlo simulations " ORR reaction in acid revisited through DFT studies that address the complexity of Pt-based alloys in electrocatalytic proces...