Theory of Electron-Induced Decomposition of Molecules in Plasma and Nano-technology

Grant Agency
Grant Agency of the Czech Republic
Development and Application of Quantum Chemical Methods
Year from
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The proposed project is dealing with the development and application of a new computational method aimed as a general theoretical tool for determination of cross sections of electron-induced chemical processes in low-energy plasma. Modelling of chemical transformations in plasma is a complex problem for which it is necessary to know cross sections for electron-induced chemical reactions. Application of theory and software developed by us for this purpose is the subject of the proposed project. Our theoretical approach is a combination of the electron scattering theory, modified quantum chemical methods and molecular dynamics. The molecular targets assumed are complex compounds of gold, platinum and some other metals to be used for practical applications oriented for predictions of the optimum electron energy for decomposition of metal-containing complexes and the subsequent deposition of pure metal nanostructures on solid substrates for needs of nanotechnologies.

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