1st Edition
Quantum Theory of Transport Properties of Single Molecules
1. Theory of Length-Dependent Conductance in One-Dimensional Chains
Yoshihiro Asai and Hidetoshi Fukuyama
2. Long-Range Electron Transport of Ruthenium-Centered Multilayer Films via a Stepping-Stone Mechanism
Kei-ichi Terada, Hisao Nakamura, Katsuhiko Kanaizuka, Masa-aki Haga, Yoshihiro Asai, and Takao Ishida
3. The Orbital Selection Rule for Molecular Conductance as Manifested in Tetraphenyl-Based Molecular Junctions
Marius Bürkle, Limin Xiang, Guangfeng Li, Ali Rostamian, Thomas Hines, Shaoyin Guo, Gang Zhou, Nongjian Tao, and Yoshihiro Asai
4. Gate Controlling of Quantum Interference and Direct Observation of Anti-resonances in Single Molecule Charge Transport
Yueqi Li, Marius Bürkle, Guangfeng Li, Ali Rostamian, Hui Wang, Zixiao Wang, David R. Bowler, Tsuyoshi Miyazaki, Limin Xiang, Yoshihiro Asai, Gang Zhou, and Nongjian Tao
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
Hisao Nakamura, Yoshihiro Asai, Joshua Hihath, Christopher Bruot, and Nongjian Tao
6. Controlling Formation of Single-Molecule Junctions by Electrochemical Reduction of Diazonium Terminal Groups
Thomas Hines, Ismael Díez-Pérez, Hisao Nakamura, Tomomi Shimazaki, Yoshihiro Asai, and Nongjian Tao
7. Toward Multiple Conductance Pathways with Heterocycle-Based Oligo(phenyleneethynylene) Derivatives
Delia Miguel, Luis Álvarez de Cienfueeos, Ana Martín-Lasanta, Sara P. Morrillo, Linda A. Zotti, Edmund Leary, Marius Bürkle, Yoshihiro Asai, Rocío Jurado, Diego J. Cárdenas, Gabino Rubio-Bollinger, Nicolás Agraït, Juan M. Cuerva, and M. Teresa González
8. Theory of Inelastic Electric Current through Single Molecules
Yoshihiro Asai
9. Theoretical Study of the Lineshape of Inelastic Electron Tunneling Spectroscopy
Tomomi Shimazaki and Yoshihiro Asai
10. Inelastic Transport and Low-Bias Rectification in a Single-Molecule Diode
Joshua Hihath, Christopher Bruot, Hisao Nakamura, Yoshihiro Asai, Ismael Diez-Perez, Youngu Lee, Luping Yu, and Nongjian Tao
11. Nonequilibrium Phonon Effects on Transport Properties through Atomic and Molecular Bridge Junctions
Yoshihiro Asai
12. Theory of Local Heating in Single Molecular Bridge Junctions
Yoshihiro Asai
13. Vibronic Spectroscopy Using Current Noise
Yoshihiro Asai
14. Universal Temperature Crossover Behavior of Electrical Conductance in a Single Oligothiophene Molecular Wire
See Kei Lee, Ryo Yamada, Shoji Tanaka, Gap Soo Chang, Yoshihiro Asai, and Hirokazu Tada
15. Theory of Electric Conductance of DNA Molecule
Yoshihiro Asai
16. First-Principles Calculation of the Thermoelectric Figure of Merit for [2,2]Paracyclophane-Based Single-Molecule Junctions
Marius Bürkle, Thomas J. Hellmuth, Fabian Pauly, and Yoshihiro Asa
17. Thermal Conductance of Teflon and Polyethylene: Insight from an Atomistic, Single-Molecule Level
Marius Bürkle and Yoshihiro Asai
18. How to Probe the Limits of the Wiedemann–Franz Law at Nanoscale
Marius Bürkle and Yoshihiro Asai
19. Thermoelectricity at the Molecular Scale: A Large Seebeck Effect in Endohedral Metallofullerenes
See Kei Lee, Marius Bürkle, Ryo Yamada, Yoshihiro Asai, and Hirokazu Tada
20. Thermoelectric Efficiency of Organometallic Complex Wires via Quantum Resonance Effect and Long-Range Electric Transport Property
Hisao Nakamura, Tatsuhiko Ohto, Takao Ishida, and Yoshihiro Asai
21. Heat Dissipation and Its Relation to Thermopower in Single-Molecule Junctions
L. A. Zotti, M. Bürkle, F. Pauly, W. Lee, K. Kim, W. Jeong, Y. Asai, P. Reddy, and J. C. Cuevas
22. Thermoelectric Effect and Its Dependence on Molecular Length and Sequence in Single DNA Molecules
Yueqi Li, Limin Xiang, Julio L. Palma, Yoshihiro Asai, and Nongjian Tao
23. The Effect of a Ta Oxygen Scavenger Layer on HfO2-Based Resistive Switching Behavior: Thermodynamic Stability, Electronic Structure, and Low-Bias Transport
Xiaoliang Zhong, Ivan Rungger, Peter Zapol, Hisao Nakamura, Yoshihiro Asai, and Olle Heinone
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
Hisao Nakamura and Yoshihiro Asai
25. Resistive Switching Mechanism of GeTe–Sb2Te3 Interfacial Phase Change Memory and Topological Properties of Embedded Two-Dimensional States
Hisao Nakamura, Ivan Rungger, Stefano Sanvito, Nobuki Inoue, Junji Tominaga, and Yoshihiro Asai
Biography
Yoshihiro Asai is a former director of a research center at the National Institute of Advanced Industrial Science and Technology (AIST), Japan. He joined Prof. Ken-ichi Fukui’s group at Kyoto University, Japan, and was awarded a PhD in 1987 in the field of quantum chemistry. He then moved as a tenured researcher to Dr. J. Kondo’s group at Electrotechnical Laboratory (ETL) and started research on condensed matter physics theory, including strongly correlated electron systems, superconductivity, computational physics, and non-equilibrium transport. His research has been focused on inelastic electric currents, electron and phonon currents, local heating, and vibronic effects on current noise. Dr. Asai’s work contributes to the understanding of fundamental physical processes and has practical implications for technologies such as nanoelectronics, thermoelectric devices, and quantum materials.
Marius E. Bürkle joined Yoshihiro Asai’s group as a JSPS fellow and became a chief senior researcher at AIST. He joined Prof. Gerd Schön’s group at Karlsruhe Institute of Technology and was awarded a PhD in 2011 for his thesis on “Ab initio description of electron transport through nanoscale systems.” His research is focused on nanoscale systems, particularly electron transport, as well as single-molecule charge transport and quantum interference. His work includes studies on heat dissipation and its relation to thermopower in single-molecule junctions, nanoscale orchestration, thermoelectric properties, and quantum transport.
“This book demonstrates the rapid but steady development of the science of single-molecule junctions. Theoretical systems that can elucidate experimental results are described for each topic pertaining to single-molecule junctions. It is an excellent book for experimentalists and theorists to gain knowledge regarding single-molecule transport phenomena.”
Prof. Masateru Taniguchi
Osaka University, Japan
