Quantum Theory of Transport Properties of Single Molecules

Yoshihiro Asai, Marius E. Bürkle

• Publisher: Jenny Stanford Publishing
• Year: 2024
• eBook ISBN:
  9781000091151
• Topic: Physical Sciences
• Subtopic: Mathematical & Computational Physics

The quantum transport theory, which dates back to the time of the Landauer theory in the field of mesoscopic physics, is now expanding its power on materials science and chemistry by earning chemical accuracy and physical reality and has become a new subject of non-equilibrium quantum transport theory for charge and heat at nanoscale. This growing subject invites cross-disciplinary developments, for example, the local heating theory developed earlier was examined and applied to the self-heating problem in the field of semiconductor- and nanoelectronic-device physics. This book compiles 25 key published papers to provide readers with convenient and comprehensive access to the important results and developments in the field. The book will appeal to a wide range of readers from varied backgrounds, especially those involved in charge- and/or heat-transport problems that widely spread over various subjects in materials science, chemistry, electric engineering, and condensed matter physics.

Table of contents

• Cover Page
• Half Title Page
• Title Page
• Copyright Page
• Contents
• Preface
• Chapter 1 Theory of Length-Dependent Conductance in One-Dimensional Chains
• Chapter 2 Long-Range Electron Transport of Ruthenium-Centered Multilayer Films via a Stepping-Stone Mechanism
• Chapter 3 The Orbital Selection Rule for Molecular Conductance as Manifested in Tetraphenyl-Based Molecular Junctions
• Chapter 4 Gate Controlling of Quantum Interference and Direct Observation of Anti-resonances in Single Molecule Charge Transport
• Chapter 5 Switch of Conducting Orbital by Bias-Induced Electronic Contact Asymmetry in a Bipyrimidinyl-biphenyl Diblock Molecule: Mechanism to Achieve a pn Directional Molecular Diode
• Chapter 6 Controlling Formation of Single-Molecule Junctions by Electrochemical Reduction of Diazonium Terminal Groups
• Chapter 7 Toward Multiple Conductance Pathways with Heterocycle-Based Oligo(phenyleneethynylene) Derivatives
• Chapter 8 Theory of Inelastic Electric Current through Single Molecules
• Chapter 9 Theoretical Study of the Lineshape of Inelastic Electron Tunneling Spectroscopy
• Chapter 10 Inelastic Transport and Low-Bias Rectification in a Single-Molecule Diode
• Chapter 11 Nonequilibrium Phonon Effects on Transport Properties through Atomic and Molecular Bridge Junctions
• Chapter 12 Theory of Local Heating in Single Molecular Bridge Junctions
• Chapter 13 Vibronic Spectroscopy Using Current Noise
• Chapter 14 Universal Temperature Crossover Behavior of Electrical Conductance in a Single Oligothiophene Molecular Wire
• Chapter 15 Theory of Electric Conductance of DNA Molecule
• Chapter 16 First-Principles Calculation of the Thermoelectric Figure of Merit for [2,2]Paracyclophane-Based Single-Molecule Junctions
• Chapter 17 Thermal Conductance of Teflon and Polyethylene: Insight from an Atomistic, Single-Molecule Level
• Chapter 18 How to Probe the Limits of the Wiedemann–Franz Law at Nanoscale
• Chapter 19 Thermoelectricity at the Molecular Scale: A Large Seebeck Effect in Endohedral Metallofullerenes
• Chapter 20 Thermoelectric Efficiency of Organometallic Complex Wires via Quantum Resonance Effect and Long-Range Electric Transport Property
• Chapter 21 Heat Dissipation and Its Relation to Thermopower in Single-Molecule Junctions
• Chapter 22 Thermoelectric Effect and Its Dependence on Molecular Length and Sequence in Single DNA Molecules
• Chapter 23 The Effect of a Ta Oxygen Scavenger Layer on HfO2 -Based Resistive Switching Behavior: Thermodynamic Stability, Electronic Structure, and Low-Bias Transport
• Chapter 24 Competitive Effects of Oxygen Vacancy Formation and Interfacial Oxidation on an Ultra-Thin HfO2-Based Resistive Switching Memory: Beyond Filament and Charge Hopping Models
• Chapter 25 Resistive Switching Mechanism of GeTe– Sb2Te3 Interfacial Phase Change Memory and Topological Properties of Embedded Two-Dimensional States
• Index