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    Cohesion and Structure of Surfaces
    The Structures of Binary Compounds
    Ebook series2 titles

    Cohesion and Structure Series

    By J. Hafner, F. Hulliger, W.B. Jensen and

    ()

    About this series

    During the past fifteen years there has been a dramatic increase in the number of different surfaces whose structures have been determined experimentally. For example, whereas in 1979 there were only 25 recorded adsorption structures, to date there are more than 250. This volume is therefore a timely review of the state-of-the-art in this dynamic field.

    Chapter one contains a compilation of the structural data base on surfaces within a series of tables that allows direct comparison of structural parameters for related systems. Experimental structural trends amongst both clean surfaces and adsorbate systems are highlighted and discussed.

    The next chapter outlines the successes of local density functional theory in predicting the relaxations and reconstructions of clean metal and semiconductor surfaces, and the behaviour of adsorbates such as hydrogen, oxygen and alkali elements on metal surfaces, thereby explaining some of the experimental trends observed within the database. These ab initio density functional calculations are of ground state properties at the absolute zero of temperature.

    Chapter three provides an introduction to finite temperature effects in a pedagogical review of current statistical mechanical treatments of phase transitions at surfaces, many of which display the prominent role of fluctuations or non-mean field behaviour.

    The final chapter discusses the relationship of the reactivity of a surface to its morphology and composition, which is particularly relevant to a fundamental understanding of catalysis.

    LanguageEnglish
    PublisherElsevier Science
    Release dateOct 22, 2013
    Cohesion and Structure of Surfaces
    The Structures of Binary Compounds

    Titles in the series (2)

    • 2

      The Structures of Binary Compounds
      The Structures of Binary Compounds

      The Structures of Binary Compounds

      J. Hafner
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      0 ratings

      - Up-to-date compilation of the experimental data on the structures of binary compounds by Villars and colleagues. - Coloured structure maps which order the compounds into their respective structural domains and present for the first time the local co-ordination polyhedra for the 150 most frequently occurring structure types, pedagogically very helpful and useful in the search for new materials with a required crystal structure. - Crystal co-ordination formulas: a flexible notation for the interpretation of solid-state structures by chemist Bill Jensen. - Recent important advances in understanding the quantum mechanical origin of structural stability presented in two clearly-written chapters by leading experts in the field: Hafner, Majewski and Vogl. ``The Structures of Binary Compounds'' presents not only the most up-to-date compilation of the experimental data on the structures of binary compounds, but also the recent important theoretical advances in understanding the quantum-mechanical origin of structural stability. In addition to this volume, a large wall chart displaying the structure maps for the AB, ABs and AB3 stoichiometries together with the corresponding co-ordination polyhedra, has been published. The first half of the book details the successful ordering of the known experimental data in two- or three-dimensional coloured structure maps, the 150 most frequently occurring structure types being characterized for the first time by their local co-ordination polyhedra. The second half of the book details the success of first-principle theoretical calculations within the Local Density Functional Approximation in predicting the correct ground state structures of binary semiconductors, insulators and metals. The book concludes with a chapter on the cohesion and structure of solids from the more localized tight-binding point of view.

      - Up-to-date compilation of the experimental data on the structures of binary compounds by Villars and colleagues. - Coloured structure maps which order the compounds into their respective structural domains and present for the first time the local co-ordination polyhedra for the 150 most frequently occurring structure types, pedagogically very helpful and useful in the search for new materials with a required crystal structure. - Crystal co-ordination formulas: a flexible notation for the interpretation of solid-state structures by chemist Bill Jensen. - Recent important advances in understanding the quantum mechanical origin of structural stability presented in two clearly-written chapters by leading experts in the field: Hafner, Majewski and Vogl. ``The Structures of Binary Compounds'' presents not only the most up-to-date compilation of the experimental data on the structures of binary compounds, but also the recent important theoretical advances in understanding the quantum-mechanical origin of structural stability. In addition to this volume, a large wall chart displaying the structure maps for the AB, ABs and AB3 stoichiometries together with the corresponding co-ordination polyhedra, has been published. The first half of the book details the successful ordering of the known experimental data in two- or three-dimensional coloured structure maps, the 150 most frequently occurring structure types being characterized for the first time by their local co-ordination polyhedra. The second half of the book details the success of first-principle theoretical calculations within the Local Density Functional Approximation in predicting the correct ground state structures of binary semiconductors, insulators and metals. The book concludes with a chapter on the cohesion and structure of solids from the more localized tight-binding point of view.

    • 4

      Cohesion and Structure of Surfaces
      Cohesion and Structure of Surfaces

      Cohesion and Structure of Surfaces

      Elsevier Books Reference
      0 ratings
      0 ratings

      During the past fifteen years there has been a dramatic increase in the number of different surfaces whose structures have been determined experimentally. For example, whereas in 1979 there were only 25 recorded adsorption structures, to date there are more than 250. This volume is therefore a timely review of the state-of-the-art in this dynamic field. Chapter one contains a compilation of the structural data base on surfaces within a series of tables that allows direct comparison of structural parameters for related systems. Experimental structural trends amongst both clean surfaces and adsorbate systems are highlighted and discussed. The next chapter outlines the successes of local density functional theory in predicting the relaxations and reconstructions of clean metal and semiconductor surfaces, and the behaviour of adsorbates such as hydrogen, oxygen and alkali elements on metal surfaces, thereby explaining some of the experimental trends observed within the database. These ab initio density functional calculations are of ground state properties at the absolute zero of temperature. Chapter three provides an introduction to finite temperature effects in a pedagogical review of current statistical mechanical treatments of phase transitions at surfaces, many of which display the prominent role of fluctuations or non-mean field behaviour. The final chapter discusses the relationship of the reactivity of a surface to its morphology and composition, which is particularly relevant to a fundamental understanding of catalysis.

      During the past fifteen years there has been a dramatic increase in the number of different surfaces whose structures have been determined experimentally. For example, whereas in 1979 there were only 25 recorded adsorption structures, to date there are more than 250. This volume is therefore a timely review of the state-of-the-art in this dynamic field. Chapter one contains a compilation of the structural data base on surfaces within a series of tables that allows direct comparison of structural parameters for related systems. Experimental structural trends amongst both clean surfaces and adsorbate systems are highlighted and discussed. The next chapter outlines the successes of local density functional theory in predicting the relaxations and reconstructions of clean metal and semiconductor surfaces, and the behaviour of adsorbates such as hydrogen, oxygen and alkali elements on metal surfaces, thereby explaining some of the experimental trends observed within the database. These ab initio density functional calculations are of ground state properties at the absolute zero of temperature. Chapter three provides an introduction to finite temperature effects in a pedagogical review of current statistical mechanical treatments of phase transitions at surfaces, many of which display the prominent role of fluctuations or non-mean field behaviour. The final chapter discusses the relationship of the reactivity of a surface to its morphology and composition, which is particularly relevant to a fundamental understanding of catalysis.

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