Introducing Molecular Electronics

1. Front Matter

   Pages I-XIX

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2. Introducing Molecular Electronics: A Brief Overview

   1. Introducing Molecular Electronics: A Brief Overview

      • Gianaurelio Cuniberti, Giorgos Fagas, Klaus Richter

      Pages 1-10

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3. Theory

   1. Front Matter

      Pages I-XIX

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   2. Foundations of Molecular Electronics – Charge Transport in Molecular Conduction Junctions

      • Joshua Jortner, Abraham Nitzan, Mark A. Ratner

      Pages 13-54

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   3. AC-Driven Transport Through Molecular Wires

      • Peter Hänggi, Sigmund Kohler, Jörg Lehmann, Michael Strass

      Pages 55-75

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   4. Electronic Structure Calculations for Nanomolecular Systems

      • Rosa Di Felice, Arrigo Calzolari, Daniele Varsano, Angel Rubio

      Pages 77-116

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   5. Ab-initio Non-Equilibrium Green’s Function Formalism for Calculating Electron Transport in Molecular Devices

      • K. Stokbro, J. Taylor, M. Brandbyge, H. Guo

      Pages 117-151

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   6. Tight-Binding DFT for Molecular Electronics (gDFTB)

      • A. Di Carlo, A. Pecchia, L. Latessa, Th. Frauenheim, G. Seifert

      Pages 153-184

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   7. Current-Induced Effects in Nanoscale Conductors

      • Neil Bushong, Massimiliano Di Ventra

      Pages 185-205

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   8. Single Electron Tunneling in Small Molecules

      • Maarten R. Wegewijs, Matthias H. Hettler, Christian Romeike, Axel Thielmann, Katja Nowack, Jürgen König

      Pages 207-228

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   9. Transport through Intrinsic Quantum Dots in Interacting Carbon Nanotubes

      • M. Thorwart, R. Egger, M. Grifoni

      Pages 229-249

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4. Experiment

   1. Front Matter

      Pages I-XIX

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   2. Contacting Individual Molecules Using Mechanically Controllable Break Junctions

      • Jan van Ruitenbeek, Elke Scheer, Heiko B. Weber

      Pages 253-274

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   3. Intrinsic Electronic Conduction Mechanisms in Self-Assembled Monolayers

      • Wenyong Wang, Takhee Lee, Mark A. Reed

      Pages 275-300

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   4. Making Contacts to Single Molecules: Are We There Yet?

      • J. Tomfohr, G.K. Ramachandran, O.F. Sankey, S.M. Lindsay

      Pages 301-312

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   5. Six Unimolecular Rectifiers and What Lies Ahead

      • Robert M. Metzger

      Pages 313-349

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   6. Quantum Transport in Carbon Nanotubes

      • Elsa Thune, Christoph Strunk

      Pages 351-380

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   7. Carbon Nanotube Electronics and Optoelectronics

      • S. Heinze, J. Tersoff, Ph. Avouris

      Pages 381-409

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   8. Charge Transport in DNA-based Devices

      • Danny Porath, Noa Lapidot, Julio Gomez-Herrero

      Pages 411-444

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5. Outlook

   1. Front Matter

      Pages I-XIX

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Klaus von Klitzing Max-Planck-Institut fur ¨ Festk¨ orperforschung, Heisenbergstraße 1, 70569 Stuttgart, Germany Already many Cassandras have prematurely announced the end of the silicon roadmap and yet, conventional semiconductor-based transistors have been continuously shrinking at a pace which has brought us to nowadays cheap and powerful microelectronics. However it is clear that the traditional scaling laws cannot be applied if unwanted tunnel phenomena or ballistic transport dominate the device properties. It is generally expected, that a combination of silicon CMOS devices with molecular structure will dominate the ?eld of nanoelectronics in 20 years. The visionary ideas of atomic- or molecular-scale electronics already date back thirty years but only recently advanced nanotechnology, including e.g. scanning tunneling methods and mechanically controllable break junctions, have enabled to make distinct progress in this direction. On the level of f- damentalresearch,stateofthearttechniquesallowtomanipulate,imageand probechargetransportthroughuni-molecularsystemsinanincreasinglyc- trolled way. Hence, molecular electronics is reaching a stage of trustable and reproducible experiments. This has lead to a variety of physical and chemical phenomena recently observed for charge currents owing through molecular junctions, posing new challenges to theory. As a result a still increasing n- ber of open questions determines the future agenda in this ?eld.

• Molecular devices
• Molecular electronics
• Molecular wires
• Nanoscale conductors
• Nanotube
• carbon nanotubes
• circuit
• computer
• electronic structure
• electronics
• molecule
• nanostructure
• quantum dot
• simulation
• transport

• Institut für Theoretische Physik, Universität Regensburg, Regensburg, Germany

  Gianaurelio Cuniberti, Klaus Richter

• Nanotechnology Group, National Microelectronics Research Center (NMRC), Cork, Ireland

  Giorgos Fagas

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