Description

Book Synopsis


Table of Contents
Preface

Introduction

Orbitals and Bands in One Dimension

Bloch Functions, k, Band Structures

Band Width

See How they Run

An Eclipsed Stack of Pt(II) Square Planar Complexes

The Fermi Level

More Dimensions, At Least Two

Setting Up a Surface Problem

Density of States

Where Are The Electrons?

The Detective Work of Tracing Molecule-Surface Interactions: Decomposition of the DOS

Where Are the Bonds?

A Solid State Sample Problem: ThCr_2Si_2 Structure

The Frontier Orbital Perspective

Orbital Interaction on a Surface

A Case Study: CO on Ni(100)

Barriers to Chemisorption

Chemisorption Is a Compromise

Frontiers Orbitals in Three-Dimensional Extended Structures

More Than One Electronic Unit in the Unit Cell, Folding Bands

Making Bonds in a Crystal

The Peierls Distortion

A Brief Excursion into the Third Dimension

Qualitative Reasoning About Orbital Interactions on Surfaces

The Fermi Level Matters

Another Methodology and Some Credits

What's New in the Solid

References

Index

Sollids and Surfaces A Chemists View of Bonding

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    A Paperback / softback by Roald Hoffmann

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      View other formats and editions of Sollids and Surfaces A Chemists View of Bonding by Roald Hoffmann

      Publisher: Wiley-VCH Verlag GmbH
      Publication Date: 30/04/2021
      ISBN13: 9781119809913, 978-1119809913
      ISBN10: 1119809916
      Also in:
      Chemistry

      Description

      Book Synopsis


      Table of Contents
      Preface

      Introduction

      Orbitals and Bands in One Dimension

      Bloch Functions, k, Band Structures

      Band Width

      See How they Run

      An Eclipsed Stack of Pt(II) Square Planar Complexes

      The Fermi Level

      More Dimensions, At Least Two

      Setting Up a Surface Problem

      Density of States

      Where Are The Electrons?

      The Detective Work of Tracing Molecule-Surface Interactions: Decomposition of the DOS

      Where Are the Bonds?

      A Solid State Sample Problem: ThCr_2Si_2 Structure

      The Frontier Orbital Perspective

      Orbital Interaction on a Surface

      A Case Study: CO on Ni(100)

      Barriers to Chemisorption

      Chemisorption Is a Compromise

      Frontiers Orbitals in Three-Dimensional Extended Structures

      More Than One Electronic Unit in the Unit Cell, Folding Bands

      Making Bonds in a Crystal

      The Peierls Distortion

      A Brief Excursion into the Third Dimension

      Qualitative Reasoning About Orbital Interactions on Surfaces

      The Fermi Level Matters

      Another Methodology and Some Credits

      What's New in the Solid

      References

      Index

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