Green-Function Theory of Chemisorption

ISBN-13: 9781402044045 / Angielski / Twarda / 2006 / 232 str.

Sydney George Davison; K. W. Sulston; Kenneth W. Sulston

Opis

Prefaces are like speeches before the c- tain; they make even the most self-forgetful performers seem self-conscious. William Allen Neilson The study of phenomena and processes at the phase boundaries of m- ter is the realm of the surface scientist. The tools of his trade are drawn from across the spectrum of the various scienti?c disciplines. It is therefore interesting that, in investigating the properties of such boundaries, the s- facist must transcend the interdisciplinary boundaries between the subjects themselves. In this respect, he harkens back to the days of renaissance man, when knowledge knew no boundaries, and was pursued simply for its own sake, in the spirit of enlightenment. Chemisorption is a gas-solid interface problem, involving the inter- tion of a gas atom with a solid surface via a charge-transfer process, during which a chemical bond is formed. Because of its importance in such areas as catalysis and electronic-device fabrication, the subject of chemisorption is of interest to a wide range of surfacists in physics, chemistry, materials science, as well as chemical and electronic engineering. As a result, a vast lite- ture has been created, though, despite this situation, there is a surprising scarcity of books on the subject. Moreover, those that are available tend to be experimentally oriented, such as, Chemisorption: An Experimental - proach (Wedler 1976). On the theoretical side, The Chemisorption Bond (Clark 1974) provides a good introduction, but is limited in not describing the more advanced techniques presently in use."

Spis treści

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.

Blurb

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 semiconductoe 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

The book is suitable for Senior undergraduate and junior graduate students in theoretical and physical chemistry, students in catalysis, chemical engineering and materials science Researchers in government and industrial laboratories should also find the book useful.