Solids and Surfaces

Оглавление

Roald Hoffmann. Solids and Surfaces

Table of Contents

List of Illustrations

Guide

Pages

Solids and Surfaces: A Chemist’s View of Bonding in Extended Structures

Preface and Acknowledgments

INTRODUCTION

ORBITALS AND BANDS IN ONE DIMENSION

BLOCH FUNCTIONS, k, BAND STRUCTURES

BANDWIDTH

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-SUREACE INTERACTIONS: DECOMPOSITION OF THE DOS

WHERE ARE THE BONDS?

A SOLID STATE SAMPLE PROBLEM: THE ThCr2Si2 STRUCTURE

THE FRONTIER ORBITAL PERSPECTIVE

ORBITAL INTERACTION ON A SURFACE

A CASE STUDY: CO ON Ni(100)

BARRIERS TO CHEMISORPTION

CHEMISORPTION IS A COMPROMISE

FRONTIER ORBITAIS 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. A

B

C

D

E

F

G

H

K

L

M

N

O

P

R

S

T

W

Z

WILEY END USER LICENSE AGREEMENT

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Roald Hoffmann

Earl Muetterties

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Over the years my research has been steadily supported by the National Science Foundation’s Chemistry Division. I owe Bill Cramer and his fellow program directors thanks for their continued support. A special role in my group’s research on extended structures was played by the Materials Science Center (MSC) at Cornell University, supported by the Materials Research Division of the National Science Foundation. MSC furnished an interdisciplinary setting, which facilitated an interaction among researchers in the surface science and solid state areas that was very effective in introducing a novice to the important work in the field. I am grateful to Robert E. Hughes, Herbert H. Johnson, and Robert H. Silsbee, the MSC directors, for providing that supporting structure. In the last five years my surface-related research has been generously supported by the Office of Naval Research. That support is in the form of a joint research program with John Wilkins.

One reason it is easy to cross disciplines at Cornell is the existence of the Physical Sciences Library, with its broad coverage of chemistry and physics. I would like to thank Ellen Thomas and her staff for her contributions in that regard. Our drawings, a critical part of the way our research is presented, have been beautifully prepared over the years by Jane Jorgensen and Elisabeth Fields. I’d like to thank Eleanor Stagg, Linda Kapitany, and Lorraine Seager for their typing and secretarial assistance.

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