1 General Description |
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1 | (38) |
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1.1 Conduction and Electron Current Through a Single Molecule |
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1 | (7) |
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1.2 Gating and Electric Potential on the Bridge |
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8 | (4) |
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1.3 Electron-Electron Interactions: Coulomb Blockade |
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12 | (4) |
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16 | (2) |
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1.5 Electron-Phonon Interactions |
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18 | (5) |
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23 | (5) |
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1.7 Building of Metal-Molecule-Metal Junctions |
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28 | (5) |
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1.8 Characterization of Molecular Junctions |
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33 | (6) |
2 Transport Theory |
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39 | (40) |
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2.1 Retarded and Advanced Green's Functions for Electrons Traveling Through a MMM Junction |
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39 | (8) |
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2.2 The Green's Function for the Atomic Wire; an Analytical Example |
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47 | (5) |
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2.3 Electron Transmission and Landauer Expression for the Current Through a MMM Junction |
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52 | (4) |
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2.4 Electron Transport Through a Junction as a Multichannel Scattering Problem |
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56 | (8) |
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2.5 Nonequilibrium Green's Functions Formalism |
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64 | (9) |
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73 | (6) |
3 Ballistic Transport |
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79 | (54) |
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3.1 Charge Transfer and Electrostatic Potential Distribution in Unbiased Junctions |
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79 | (5) |
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3.2 Electric Charge and Potential Distribution Over a Biased MMM Junction: Current Rectification |
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84 | (6) |
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90 | (3) |
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3.4 Simmons Model for Electron Transport Through Molecular Insulators |
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93 | (6) |
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3.5 Conformational Gating of Molecular Bridges |
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99 | (3) |
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3.6 Effect of the Electronic Structure of the Leads on the Electron Transport Through a Junction: Negative Differential Resistance |
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102 | (3) |
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3.7 Coulomb Blockade and Charge Oscillations: NEGF Approach |
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105 | (5) |
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3.8 Coulomb Blockade: Multielectron Master Equations Approach |
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110 | (5) |
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3.9 Transport Through Magnetic Molecules |
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115 | (4) |
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119 | (7) |
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3.11 Kondo Effect in Nonequilibrium Quantum Dots." |
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126 | (7) |
4 Inelastic Transport |
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133 | (50) |
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4.1 Vibration-Induced Features in the Electron Conductance and Current Through MMM Junctions |
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133 | (6) |
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4.2 Vibration-Induced Features in the Inelastic Electron Tunneling Spectra (IETS) |
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139 | (9) |
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4.3 The Effect of Molecular Vibrations on the Coulomb Blockade and Kondo Anomaly |
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148 | (5) |
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4.4 Dissipative Transport: Direct Coupling of the Molecular Bridge to the Phonon Bath |
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153 | (5) |
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4.5 Dissipative Transport: Indirect Coupling of the Molecular Bridge to Thermal Phonons |
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158 | (5) |
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163 | (5) |
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4.7 Heat Transfer, Thermal Conductance, and Thermopower |
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168 | (7) |
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4.8 Polaron Effects: Hysteresis, Switching and Negative Differential Resistance |
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175 | (3) |
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4.9 Molecular Junction Conductance and Long Range Electron Transfer Reactions |
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178 | (5) |
5 Electronic Structure Calculations in Molecules |
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183 | (48) |
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183 | (9) |
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5.2 Approximations for the Exchange-Correlation Energy Term |
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192 | (4) |
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5.3 Long-Range Interactions in the DFT |
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196 | (4) |
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200 | (4) |
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204 | (3) |
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5.6 Dielectric Response of Fullerenes |
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207 | (5) |
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5.7 Density-Functional-Based Investigations of Molecular Magnets |
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212 | (5) |
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5.8 Photoexcitation of the Light-Harvesting Carotenoid-Porphyrin-C60 Molecular Triad |
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217 | (4) |
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5.9 Specifics of the Electron Structure Calculations for MMM Junctions |
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221 | (10) |
6 Nanoelectronic Applications of Molecular Junctions |
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231 | (42) |
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6.1 Field-Effect Transistors |
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231 | (8) |
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6.2 Single-Molecule Diodes |
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239 | (3) |
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6.3 Quantum Dots and Carbon Nanotubes as Switches and Memory Elements |
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242 | (6) |
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6.4 Molecular Switches and Memories |
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248 | (7) |
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6.5 Chemoselective Sensors |
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255 | (7) |
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6.6 Thermoelectric Devices |
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262 | (6) |
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6.7 Molecules on Silicon Surfaces |
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268 | (5) |
7 Conclusion |
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273 | (4) |
A MATLAB Codes Used to Generate Text Figures |
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277 | (30) |
References |
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307 | (28) |
Index |
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335 | |