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Theoretical study of electron tunneling through the spiral molecule junctions along spiral paths
- Source :
- Physical chemistry chemical physics : PCCP. 18(5)
- Publication Year :
- 2016
-
Abstract
- The electronic transport properties of carbohelicenes and heterohelicenes absorbed between two metal electrodes have been investigated by using the nonequilibrium Green's function in combination with the density function theory. The transport properties of the molecular junctions are mainly dependent on the nature of spiral molecules. The detailed analyses of the transmission spectra, the energy levels as well as the spatial distribution of molecular projected self-consistent Hamiltonian explain how the geometry of molecules affects the intra-molecular electronic coupling. The spiral current in the configurations can be achieved by tuning the outer edge states of spiral-shaped molecules. Furthermore, the symmetric current–voltage characteristics are investigated with the bias changing for all devices as well as an negative differential resistance behavior is observed.
- Subjects :
- Chemical substance
Chemistry
General Physics and Astronomy
Non-equilibrium thermodynamics
02 engineering and technology
010402 general chemistry
021001 nanoscience & nanotechnology
01 natural sciences
Molecular physics
Spectral line
0104 chemical sciences
symbols.namesake
Molecular geometry
symbols
Molecule
Density functional theory
Physical and Theoretical Chemistry
Atomic physics
0210 nano-technology
Hamiltonian (quantum mechanics)
Quantum tunnelling
Subjects
Details
- ISSN :
- 14639084
- Volume :
- 18
- Issue :
- 5
- Database :
- OpenAIRE
- Journal :
- Physical chemistry chemical physics : PCCP
- Accession number :
- edsair.doi.dedup.....57845acdc76a4274369629ee09fb0083