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Theory and Experiment in Electrocatalysis (Modern Aspects of Electrochemistry)From Springer
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Electrocatalysts are the heart of power devices where electricity is produced via conversion of chemical into electrical energy. - pressive advances in surface science techniques and in first pr- ciples computational design are providing new avenues for signi- cant improvement of the overall efficiencies of such power dev- es, especially because of an increase in the understanding of el- trocatalytic materials and processes. For example, the devel- ment of high resolution instrumentation including various electron and ion-scattering and in-situ synchrotron spectroscopies, elect- chemical scanning tunneling microscopy, and a plethora of new developments in analytical chemistry and electrochemical te- niques, permits the detailed characterization of atomic distribution, before, during, and after a reaction takes place, giving unpre- dented information about the status of the catalyst during the re- tion, and most importantly the time evolution of the exposed ca- lytic surfaces at the atomistic level. These techniques are c- plemented by the use of ab initio methods which do not require input from experimental information, and are based on numerical solutions of the time-independent Schrodinger equation including electron-electron and electron-atom interactions. These fir- principles computational methods have reached a degree of - turity such that their use to provide guidelines for interpretation of experiments and for materials design has become a routine practice in academic and industrial communities.
- Brand: Springer
- Published on: 2010-11-02
- Original language: English
- Number of items: 1
- Dimensions: 5.20" h x 1.70" w x 8.10" l, 1.65 pounds
- Binding: Hardcover
- 578 pages
From the Back Cover
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 processes
• Use of surface science methods and electrochemical techniques to elucidate reaction mechanisms in electrocatalytic processes
• In-situ synchrotron spectroscopy to analyze electrocatalysts dispersed on nanomaterials
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From reviews of previous volumes:
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“Continues the valuable service that has been rendered by the Modern Aspects series.” ―Journal of Electroanalytical Chemistry
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“Extremely well-referenced and very readable.... Maintains the overall high standards of the series.” ―Journal of the American Chemical Society
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