H
Hongmei Liu
Researcher at Nanjing University
Publications - 22
Citations - 685
Hongmei Liu is an academic researcher from Nanjing University. The author has contributed to research in topics: Density functional theory & Molecular wire. The author has an hindex of 15, co-authored 22 publications receiving 656 citations. Previous affiliations of Hongmei Liu include Nanyang Technological University & Harbin Institute of Technology.
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Length-dependent conductance of molecular wires and contact resistance in metal-molecule-metal junctions.
TL;DR: Based on the chain-length-dependent conductance of the series of molecular wires, the attenuation factor beta is obtained and compared with the experimental data, and the beta value is quantitatively correlated to the molecular HOMO-LUMO gap.
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Molecular Rectification Based on Asymmetrical Molecule−Electrode Contact
TL;DR: The transportation of these contact-asymmetrical junctions shows obvious rectification, implying that the asymmetrical interface modification is feasible in the design of molecular diodes, and highlights the fact that contact asymmetry is a significant factor to be considered when evaluating nanoelectrical junctions incorporating single molecules.
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Electronic transportation through asymmetrically substituted oligo(phenylene ethynylene)s: studied by first principles nonequilibrium Green's function formalism.
TL;DR: The dependences of spatial distribution and lowest unoccupied molecular orbital (LUMO) energy level on the applied voltage have been found playing dominating but opposite roles in controlling the rectification behavior.
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Conformational analysis of diphenylacetylene under the influence of an external electric field
TL;DR: Theoretical investigation of the torsional potentials of a molecular wire, diphenylacetylene, was carried out by considering the influence of the external electric field and found that many molecular features are sensitive to the EF applied.
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Dynamic Characterization of the Postbreaking Behavior of a Nanowire
TL;DR: In this paper, the dynamic evolution of a gold nanojunction has been investigated by incorporation of molecular dynamics (MD) simulation and mechanically controllable break junction (MCBJ) in a wide range of strain rates, covering nonequilibrium, quasi-equilibrium, and equilibrium tensile states.