• Publications
  • Influence
Cracking risk of concrete structures in the hardening phase: Experiments, material modeling and finite element analysis
Cracking risk of concrete structures in the hardening phase: Experiments, material modeling and finite element analysis
  • 19
  • 2
Gated electronic currents modulation and designs of logic gates with single molecular field effect transistors
The electronic transport properties of a gated single 1,3-benzenedithiol molecular device are studied by using nonequilibrium Green's function in combination with density functional theory, which isExpand
  • 24
  • 1
Effect of the orientation of nitro group on the electronic transport properties in single molecular field-effect transistors.
Molecular devices with nitro groups display unique electronic transport properties in experiments. By applying the non-equilibrium Green's function combined with density functional theory, we findExpand
  • 7
  • PDF
Electronic transport properties of carbon chains between Au and Ag electrodes: A first-principles study
Abstract We report first-principles calculations of the current-voltage characteristic and the conductance of carbon-based molecular wires with different length capped with sulfur ends between twoExpand
  • 21
A single-molecule diode with significant rectification and negative differential resistance behavior
Abstract A series of ferrocenylalkanethiol (HSCnFc) single molecular junctions are modeled and their rectification ratios ( RR s) are up to 100 (for HSC11Fc), which agrees with the experiments ofExpand
  • 22
Enhanced rectifying performance by asymmetrical gate voltage for BDC20 molecular devices
By applying the asymmetrical gate voltage on the 1,4-bis (fullero[c]pyrrolidin-1-yl) benzene BDC20 molecule, we investigate theoretically its electronic transport properties using the densityExpand
  • 8
Contact position and width effect of graphene electrode on the electronic transport properties of dehydrobenzoannulenne molecule under bias
Abstract By applying nonequilibrium Greenʼs function formalism in combination with density functional theory, we have investigated the electronic transport properties of dehydrobenzoannulenneExpand
  • 15
First-principles study of the electronic transport properties of the anthraquinone-based molecular switch
Abstract By applying non-equilibrium Green’s function (NEGF) formalism combined with first-principles density functional theory (DFT), we have investigated the electronic transport properties of theExpand
  • 4
The electronic transport properties in C60 molecular devices with different contact distances
Abstract By applying non-equilibrium Greenʼs functions in combination with the density-functional theory, we investigate the transport behavior of molecular devices composed by metal electrode–C60Expand
  • 11