Theoretical Surface Science

Progress continues in the theoretical treatment of surfaces and processes on surfaces based on first-principles methods, i.e. without invoking any empirical parameters. In this book, the theoretical concepts and computational tools necessary and relevant for a microscopic approach to the theoretical description of surface science is presented, together with a detailed discussion of surface phenomena. This makes the book suitable for both graduate students and for experimentalists seeking an overview of the theoretical concepts in surface science. This second enlarged edition has been carefully revised and updated, a new chapter on surface magnetism is included, and novel developments in theoretical surface science are addressed.

• Adsorption
• Chemical bonding
• Electronic structure theory
• Molecular dynamics simulation
• Reactivity concepts
• Surface science
• modeling
• science

From the reviews of the first edition:

"The book is very well suited for any surface scientist ... . Using a clear no-nonsense style, the author shows many different aspects of surface science, starting from statics of clean surfaces, over surface impurities to the dynamics of reactions at surfaces and gas-surface interactions. Covering all these topics in 250 pages while maintaining a good logical line and introducing all necessary concepts at their appropriate places is an admirable accomplishment. It is therefore an ideal book to use in a graduate course ... ." (Stefaan Cottenier and André Vantomme, Physicalia, Vol. 26 (1), 2004)

"This is an excellent book that provides a comprehensive and up-to-date overview from a microscopic point of view of the theoretical concepts and techniques appropriate to modern surface science. ... As a practicing surface theorist I found this text to be extremely interesting, informative and stimulating. I would strongly recommend it to any graduate with an interest in surface physics whether from an experimental or theoretical point of view. This book would also be an ideal text for an advanced course in surface science." (Phil Smith, The Physicist, Vol. 40 (4), 2003)

"Groß devotes his book to the analysis of surface structure and chemistry in terms of the electronic structure of substrate and adsorbate. … The text refers to an enormous wealth of different theories and approaches, and the theoretical concepts are very relevant for all surface scientists. … It is … highly recommended to surface scientists to have a look through and get an idea of the theoretical concepts available." (Walter Langel, Journal of Solid State Electrochemistry, Vol. 9 (7), 2005)

• Inst. Theoretische Chemie, Universität Ulm, Ulm, Germany

  Axel Groß

Policies and ethics