Green Function Theory of Chemisorption
The book provides an introduction to the Green-Function (GF) theory of chemisorption. It is self-contained and requires only a basic knowledge of quantum mechanics and solid-state physics. The GF approach lends itself well to the pedagogically desirable modellistic treatment of the subject. Throughout each chapter, step-by-step details are provided by which the calculations are performed, so that readers are led from the simple to the more advanced aspects, in a straightforward manner. In...
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The book provides an introduction to the Green-Function (GF) theory of chemisorption. It is self-contained, and requires only a basic knowledge of quantum mechanics and solid-state physics. The GF approach lends itself well to the pedagogically desirable modellistic treatment of the subject. Throughout each chapter, step-by-step details are provided by which the calculations are performed, so that readers are led from the simple to the more advanced aspects, in a straightforward manner. In this way, students gain confidence to read the current literature on their own.This book includes:- A straightforward introduction into Green-Function Theory of Chemisorption- The mathematical foundation of the Green Function Method- Electron- electron interaction on the adatom- Demonstration of the power and versatility of the technique - Metalized semiconductor substrates as example of supported catalysts- Electronic properties of disordered binary alloys and treatment of chemisorption on such substrates- Chemisorption on electrified substrates- Implications of two atoms interacting with a substrate on adatom formation- Extensive Appendices
Preface.-Acronyms.- George Green (1793-1841).- Molecular-Orbital Picture: Adatom substrate interaction.- Adbond Character.- Resolvent Technique: Projection Operators.-Perturbation Formulation.- Chemisorptionon Cyclic Crystal.- Dyson-Equation Approach: Dyson Equation.- Density of States.- Chemisorption on monatomic substrate.- Anderson-Newns-Grimley Model: Second Quantization Formalism.- ANG Hamiltonian.- Hartee-Fock Treatment.- Oxygen on III-V Semiconductors.- Supported-Metal Catalysts.- Metal-support Greenian.- Substrate surface Green Function.- Chemisorption properties.- H-Ni/ZnO system.- Disordered Binary Alloys:Coherent- Potential Approximation.- Alloy Surface Green Function.- Adatom Green function.- Chemisorption properties.- H-Cu/Ni and H-Au/Pt systems.- Electrified Substrates: Wannier-Stark Ladders.- Recursive-Green-Function Treatment.- Electrochemisorption.- H-Ti and H-Cr Systems.- Indirect Adatom Interations: Adatom Green Function.- Chemisorption Functions.-Self consistency and Charge Transfer.-Change in Density of States.- Chemisorption and Interaction Energies.- 2H Systems.- Appendices.- Bibliography.
