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Benzodifuran (BDF) single-molecule transistors have been fabricated in electromigration break junctions for electronic measurements. The inelastic electron tunneling spectrum validates that the BDF molecule is the pathway of charge transport. The gating effect is analyzed in the framework of a single-level tunneling model combined with transition voltage(More)
Low-voltage, low-cost, high-performance monolayer field-effect transistors are demonstrated, which comprise a densely packed, long-range ordered monolayer spin-coated from core-cladding liquid-crystalline pentathiophenes and a solution-processed high-k HfO2 -based nanoscale gate dielectric. These monolayer field-effect transistors are light-sensitive and(More)
Organic fi eld-effect transistors (OFETs) have continuously attracted intense research interest as a viable alternative to amorphous silicon thin-fi lm transistors for potential applications in large-area and fl exible electronics. [ 1 ] Thanks to tremendous developments of novel high-performance organic semiconductors and device optimization, [ 2 ] the(More)
The electronic transport properties of single [2,2]paracyclophane molecules directly connected to gold and platinum electrodes have been investigated both theoretically and experimentally by using first-principles quantum transport simulations and break-junction experiments. For comparison, investigations on [3,3]- and [4,4]-paracyclophanes have also been(More)
Meilin Bai,1,2 Clotilde S. Cucinotta,2,* Zhuoling Jiang,1 Hao Wang,1 Yongfeng Wang,1,3 Ivan Rungger,2,4 Stefano Sanvito,2,* and Shimin Hou1,3,* 1Key Laboratory for the Physics and Chemistry of Nanodevices, Department of Electronics, Peking University, Beijing 100871, China 2School of Physics, Advanced Materials and Bioengineering Research Centre (AMBER) and(More)
The low-bias transport properties of a single 1,4-phenylene diisocyanide (PDI) molecule connected to two platinum (Pt) electrodes are investigated using a self-consistent ab initio approach that combines the non-equilibrium Green's function formalism with density functional theory. Our calculations demonstrate that the zero-bias conductance of an asymmetric(More)
The transition voltage of vacuum-spaced and molecular junctions constructed with Ag and Pt electrodes is investigated by non-equilibrium Green's function formalism combined with density functional theory. Our calculations show that, similarly to the case of Au-vacuum-Au previously studied, the transition voltages of Ag and Pt metal-vacuum-metal junctions(More)
The transition voltage of three different asymmetric Au∕poly(phenylene) thiol∕Au molecular junctions in which the central molecule is either benzene thiol, biphenyl thiol, or terphenyl thiol is investigated by first-principles quantum transport simulations. For all the junctions, the calculated transition voltage at positive polarity is in quantitative(More)
The origin and the distance dependence of the transition voltage of gold-vacuum-gold junctions are investigated by employing first-principles quantum transport simulations. Our calculations show that atomic protrusions always exist on the electrode surface of gold-vacuum-gold junctions fabricated using the mechanically controllable break junction (MCBJ)(More)