Shimin Hou

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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 conductance of a single 4,4 bipyridine (44BPD) molecule connected to two gold electrodes is calculated using a density functional theory based Green function method. The atomic geometry of such a molecular junction is constructed from the optimized structure of a gold trimer-44BPD-gold trimer complex. Resonant conduction is the main feature of its(More)
We present a theoretical study of spin transport in a series of organometallic iron-cyclopentadienyl, Fe(n)Cp(n+1), multidecker clusters sandwiched between either gold or platinum electrodes. Ab initio modeling is performed by combining the non-equilibrium Green's function formalism with spin density functional theory. Due to the intrinsic bonding nature,(More)
We present a theoretical study of the spin transport through a manganese phthalocyanine (MnPc) molecule sandwiched between two semi-infinite armchair single-walled carbon nanotube (SWCNT) electrodes. Ab initio modeling is performed by combing the nonequilibrium Green's function formalism with spin density functional theory. Our calculations show that MnPc(More)
The electronic transport properties of a single benzene molecule connected to gold and platinum electrodes through the direct Au-C or Pt-C bond are investigated by using a self-consistent ab initio approach that combines the non-equilibrium Green's function (NEGF) formalism with density functional theory (DFT). Our calculations show that the benzene(More)
The conductance of a single 1,4-diisocyanatobenzene molecule sandwiched between two single-walled carbon nanotube (SWCNT) electrodes are studied using a fully self-consistent ab initio approach which combines nonequilibrium Green's function formalism with density functional theory calculations. Several metallic zigzag and armchair SWCNTs with different(More)
We present a theoretical approach which allows one to extract the orbital contribution to the conductance of molecular electronic devices. This is achieved by calculating the scattering wave functions after the Hamiltonian matrix of the extended molecule is obtained from a self-consistent calculation that combines the nonequilibrium Green's function(More)