Introducing Molecular Electronics

Gianaurelio Cuniberti, Giorgos Fagas, Klaus Richter (auth.), Gianaurelio Cuniberti, Klaus Richter, Giorgos Fagas (eds.)3540279946, 9783540279945, 9783540315148

This volume presents a summary of our current understanding of molecular electronics combined with selected state-of-the-art results at a level accessible to the advanced undergraduate or novice postgraduate. This single book comprises the basic knowledge of both theory and experiment underpinning this rapidly growing field. Concepts and techniques such as density functional theory and charge transport, break junctions and scanning probe microscopy are introduced step-by-step and are subsequently used in specific examples. The text addresses a wide range of systems including molecular junctions made of single-molecules, self-assembled monolayers, carbon nanotubes and DNA.

Table of contents :
Introducing Molecular Electronics: A Brief Overview….Pages 1-10
Front Matter….Pages I-XIX
Foundations of Molecular Electronics – Charge Transport in Molecular Conduction Junctions….Pages 13-54
AC-Driven Transport Through Molecular Wires….Pages 55-75
Electronic Structure Calculations for Nanomolecular Systems….Pages 77-116
Ab-initio Non-Equilibrium Green’s Function Formalism for Calculating Electron Transport in Molecular Devices….Pages 117-151
Tight-Binding DFT for Molecular Electronics (gDFTB)….Pages 153-184
Current-Induced Effects in Nanoscale Conductors….Pages 185-205
Single Electron Tunneling in Small Molecules….Pages 207-228
Transport through Intrinsic Quantum Dots in Interacting Carbon Nanotubes….Pages 229-249
Front Matter….Pages I-XIX
Contacting Individual Molecules Using Mechanically Controllable Break Junctions….Pages 253-274
Intrinsic Electronic Conduction Mechanisms in Self-Assembled Monolayers….Pages 275-300
Making Contacts to Single Molecules: Are We There Yet?….Pages 301-312
Six Unimolecular Rectifiers and What Lies Ahead….Pages 313-349
Quantum Transport in Carbon Nanotubes….Pages 351-380
Carbon Nanotube Electronics and Optoelectronics….Pages 381-409
Charge Transport in DNA-based Devices….Pages 411-444
Front Matter….Pages I-XIX
CMOL: Devices, Circuits, and Architectures….Pages 447-477
Architectures and Simulations for Nanoprocessor Systems Integrated on the Molecular Scale….Pages 479-512