Theoretical Surface Science

A Microscopic Perspective

  • Axel Groß

Table of contents

  1. Front Matter
    Pages 1-11
  2. Axel Groß
    Pages 1-4
  3. Axel Groß
    Pages 5-19
  4. Axel Groß
    Pages 101-163
  5. Axel Groß
    Pages 165-184
  6. Axel Groß
    Pages 185-238
  7. Axel Groß
    Pages 275-295
  8. Axel Groß
    Pages 297-306
  9. Back Matter
    Pages 313-347

About this book


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.

From the first-edition reviews:

"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. …an ideal book to use in a graduate course." Physicalia

"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." The Physicist

" The text refers to an enormous wealth of different theories and approaches, and the theoretical concepts are very relevant for all surface scientists. … "  Journal of Solid State Electrochemistry


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

Authors and affiliations

  • Axel Groß
    • 1
  1. 1.Inst. Theoretische ChemieUniversität UlmUlmGermany

Bibliographic information