Читать книгу Solids and Surfaces - Roald Hoffmann - Страница 2

Оглавление

1 COVER
2 TITLE PAGE
3 COPYRIGHT PAGE
4 DEDICATION PAGE
5 PREFACE AND ACKNOWLEDGMENTS
6 INTRODUCTION
7 ORBITALS AND BANDS IN ONE DIMENSION
8 BLOCH FUNCTIONS, k, BAND STRUCTURES
9 BANDWIDTH
10 SEE HOW THEY RUN
11 AN ECLIPSED STACK OF Pt(II) SQUARE PLANAR COMPLEXES
12 THE FERMI LEVEL
13 MORE DIMENSIONS, AT LEAST TWO
14 SETTING UP A SURFACE PROBLEM
15 DENSITY OF STATES
16 WHERE ARE THE ELECTRONS?
17 THE DETECTIVE WORK OF TRACING MOLECULE-SUREACE INTERACTIONS: DECOMPOSITION OF THE DOS
18 WHERE ARE THE BONDS?
19 A SOLID STATE SAMPLE PROBLEM: THE ThCr₂Si₂ STRUCTURE
20 THE FRONTIER ORBITAL PERSPECTIVE
21 ORBITAL INTERACTION ON A SURFACE
22 A CASE STUDY: CO ON Ni(100)
23 BARRIERS TO CHEMISORPTION
24 CHEMISORPTION IS A COMPROMISE
25 FRONTIER ORBITAIS IN THREE-DIMENSIONAL EXTENDED STRUCTURES
26 MORE THAN ONE ELECTRONIC UNIT IN THE UNIT CELL. FOLDING BANDS
27 MAKING BONDS IN A CRYSTAL
28 THE PEIERLS DISTORTION
29 A BRIEF EXCURSION INTO THE THIRD DIMENSION
30 QUALITATIVE REASONING ABOUT ORBITAL INTERACTIONS ON SURFACES
31 THE FERMI LEVEL MATTERS
32 ANOTHER METHODOLOGY AND SOME CREDITS
33 WHAT’S NEW IN THE SOLID?
34 REFERENCES
35 INDEX
36 END USER LICENSE AGREEMENT

List of Illustrations

1 c01Figure 1 The band structure of a chain of hydrogen atoms spaced 3, 2, and 1 ...Figure 2 Molecular orbital derivation of the frontier orbitals of a square p...Figure 3 Computed band structure of an eclipsed PtH₄^2– stack, spaced ...Figure 4 The band structure of a square lattice of H atoms, H–H separation 2...Figure 5 Schematic band structure of a planar square lattice of atoms bearin...Figure 6 Band structures of square monolayers of CO at two separations: (a) ...Figure 7 The band structure of a four-layer Ni slab that serves as a model f...Figure 8 Band structure and density of states for an eclipsed PtΗ₄²⁻ ...Figure 9 The density of states (right) corresponding to the band structure (...Figure 10 Band structure and density of states for rutile, TiO₂.Figure 12 Contributions of Ti and O to the total DOS of rutile, TiO₂ are sho...Figure 13 z² and z contributions to the total DOS of an eclipsed PtH₄²⁻...Figure 14 The total density of states of a model c(2 × 2)CO–Ni(100) system (...Figure 15 For the c(2 × 2)CO–Ni(100) model this shows the 5σ and 2π...Figure 16 Interaction diagrams for 5σ and 2π* of c(2 × 2)C)–Ni...Figure 17 From left to right: contributions of π, πσ, π...Figure 18 That part of the total DOS (dashed line) which is in the H₂ σ...Figure 19 The orbitals of N₂ (left) and a “solid state way” to plot the DOS ...Figure 20 Total density of states (left), and Pt–H (middle) and Pt–Pt (right...Figure 21 DOS and Ti–O COOP for rutile.Figure 22 Total DOS (dashed line) and 4s and 4p contributions to it in bulk ...Figure 23 The total DOS and nearest neighbor Ni–Ni COOP in bulk Ni.Figure 24 Crystal orbital overlap population for CO, on top, in a c(2 × 2)CO...Figure 25 COOP curve for the α–carbon–Pt₁ bond in the one-fold (left) and th...Figure 26 A schematic picture of the Mn₂P₂²⁻ layer band structure as ...Figure 27 Band structure and DOS of a single Mn₂P₂²⁻ layer.Figure 28 Total DOS of the composite Mn₂P₂²⁻ layer lattice (dashed li...Figure 29 Crystal orbital overlap population curves for the Mn–Mn bonds (sol...Figure 30 Total DOS of the P sublattice (left), the Mn sublattice (middle), ...Figure 31 Phosphorus 3p_z orbital contribution (dark area) to the total DOS (...Figure 32 Phosphorus 3p_z orbital contribution (dark area) to the total DOS (...Figure 33 Schematic drawing showing how the interactions of levels (bottom) ...Figure 34 The frontier orbitals of an M_o6S₈⁴⁻ cluster, with some sele...Figure 35 The band structure of a staggered PtH₄²⁻ stack (left), comp...Figure 36 A comparison of the DOS of staggered (left) and eclipsed (right) P...Figure 37 The band structure for VS in the NiAs structure (left), together w...Figure 38 The evolution of the contribution of methyl lone pairs to the DOS ...Figure 39 Some calculated characteristics of H₂ on Mg(0001), after Ref. 87. ...

Guide

1 Solids and Surfaces: A Chemist’s View of Bonding in Extended Structures
2 Cover
3 Title Page
4 Copyright Page
5 Dedication Page
6 Preface and Acknowledgments
7 Table of Contents
8 Begin Reading
9 References
10 Index
11 WILEY END USER LICENSE AGREEMENT

Pages

1 ii
2 iii
3 iv
4 v
5 viii
6 ix
7 x
8 1
9 2
10 3
11 4
12 5
13 6
14 7
15 8
16 9
17 10
18 11
19 12
20 13
21 14
22 15
23 16
24 17
25 18
26 19
27 20
28 21
29 22
30 23
31 24
32 25
33 26
34 27
35 28
36 29
37 30
38 31
39 32
40 33
41 34
42 35
43 36
44 37
45 38
46 39
47 40
48 41
49 42
50 43
51 44
52 45
53 46
54 47
55 48
56 49
57 50
58 51
59 52
60 53
61 54
62 55
63 56
64 57
65 58
66 59
67 60
68 61
69 62
70 63
71 64
72 65
73 66
74 67
75 68
76 69
77 70
78 71
79 72
80 73
81 74
82 75
83 76
84 77
85 78
86 79
87 80
88 81
89 82
90 83
91 84
92 85
93 86
94 87
95 88
96 89
97 90
98 91
99 92
100 93
101 94
102 95
103 96
104 97
105 98
106 99
107 100
108 101
109 102
110 103
111 104
112 105
113 106
114 107
115 108
116 109
117 110
118 111
119 112
120 113
121 114
122 115
123 116
124 117
125 118
126 119
127 120
128 121
129 122
130 123
131 124
132 125
133 126
134 127
135 128
136 129
137 130
138 131
139 132
140 133
141 134
142 135
143 136
144 137
145 138
146 139
147 140
148 141
149 142
150 143

Подняться наверх