John Wiley & Sons, Inc., 2000. - 235 р.
Gas-solid interfaces.
Surface chemistry.
Molecules-Surfaces
Molecular dynamics. Title.
Preface
Dynamics of molecule-surface interaction is a new interdisciplinary field between chemistry and physics. Thus it is possible to take the chemist's or the physicist's point of view. The present monograph is a chemist's point of view. In order fully to understand the area it is necessary to have a feeling for the dynamics and reactivity of molecules, i.e., chemistry, but also the properties and physics of the solid are important issues. These latter subjects are usually only taught in physics courses. The complete area conceing chemistry at surfaces is immense and the present text does not attempt to cover the area in full. It is impossible to do so in a single book. It does, however, contain a description of aspects which recent research activity have proven to be of importance. One should also remember that the system under investigation is a many-body system. Therefore, methods which have been used to treat few-body problems will either have to be abandoned or at least drastically modified. Some of the approximations described in the book have proven useful in gas-phase chemistry. But the final methodology, in the area of molecule-surface dynamics, is not yet fully established. A contour of adequate methods is, however, visible and my purpose is to give the reader an overall view of the area, methods, and problems. The text will be slightly biased toward the author's personal experience and "points of view". But I believe that the area is covered reasonably well-at least this is so if the content of the references is included. The book tries to take a microscopic molecular dynamics point of view rather than a macroscopic kinetic point of view. The reason is that it is the trend in mode research to do so, experimentally as well as theoretically. If complicated processes such as the catalytic ones are to be fully understood it implies an understanding from first principles. Therefore, the molecular approach is obviously the most promising one. However, we do enter an area where the first principle equations are not directly solvable. The alteative is then to develop methods that for smaller systems have tued out to be adequate and at the same time have the advantage that they can be extended to larger systems. Such theories are, for instance, various approximate theories for the description of gas-phase dynamics by classical and semiclassical mechanics, boson and fermion descriptions of excitations in the solid, the density functional methods for the electronic structure problem, and so forth.
Gas-solid interfaces.
Surface chemistry.
Molecules-Surfaces
Molecular dynamics. Title.
Preface
Dynamics of molecule-surface interaction is a new interdisciplinary field between chemistry and physics. Thus it is possible to take the chemist's or the physicist's point of view. The present monograph is a chemist's point of view. In order fully to understand the area it is necessary to have a feeling for the dynamics and reactivity of molecules, i.e., chemistry, but also the properties and physics of the solid are important issues. These latter subjects are usually only taught in physics courses. The complete area conceing chemistry at surfaces is immense and the present text does not attempt to cover the area in full. It is impossible to do so in a single book. It does, however, contain a description of aspects which recent research activity have proven to be of importance. One should also remember that the system under investigation is a many-body system. Therefore, methods which have been used to treat few-body problems will either have to be abandoned or at least drastically modified. Some of the approximations described in the book have proven useful in gas-phase chemistry. But the final methodology, in the area of molecule-surface dynamics, is not yet fully established. A contour of adequate methods is, however, visible and my purpose is to give the reader an overall view of the area, methods, and problems. The text will be slightly biased toward the author's personal experience and "points of view". But I believe that the area is covered reasonably well-at least this is so if the content of the references is included. The book tries to take a microscopic molecular dynamics point of view rather than a macroscopic kinetic point of view. The reason is that it is the trend in mode research to do so, experimentally as well as theoretically. If complicated processes such as the catalytic ones are to be fully understood it implies an understanding from first principles. Therefore, the molecular approach is obviously the most promising one. However, we do enter an area where the first principle equations are not directly solvable. The alteative is then to develop methods that for smaller systems have tued out to be adequate and at the same time have the advantage that they can be extended to larger systems. Such theories are, for instance, various approximate theories for the description of gas-phase dynamics by classical and semiclassical mechanics, boson and fermion descriptions of excitations in the solid, the density functional methods for the electronic structure problem, and so forth.