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Literature DB >> 15169322

Coherent electron transport through an azobenzene molecule: a light-driven molecular switch.

C Zhang¹, M-H Du, H-P Cheng, X-G Zhang, A E Roitberg, J L Krause.

Abstract

We apply a first-principles computational approach to study a light-sensitive molecular switch. The molecule that comprises the switch can convert between a trans and a cis configuration upon photoexcitation. We find that the conductance of the two isomers varies dramatically, which suggests that this system has potential application as a molecular device. A detailed analysis of the band structure of the metal leads and the local density of states of the system reveals the mechanism of the switch.

Entities: Chemical

Year: 2004 PMID： 15169322 DOI： 10.1103/PhysRevLett.92.158301

Source DB: PubMed Journal: Phys Rev Lett ISSN： 0031-9007 Impact factor: 9.161

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Cited

12 in total

1. Density functional theory characterisation of 4-hydroxyazobenzene.

Authors: Benoit Minisini; Guillaume Fayet; François Tsobnang; Jean François Bardeau
Journal: J Mol Model Date: 2007-10-05 Impact factor: 1.810

2. Characterization of a candidate multi-pole molecular switch using computational techniques.

Authors: Davood Farmanzadeh; Hassan Sabzyan
Journal: J Mol Model Date: 2008-07-22 Impact factor: 1.810

3. Implementation of biomolecular logic gate using DNA and electrically doped GaAs nano-pore: a first principle paradigm.

Authors: Debarati Dey; Pradipta Roy; Debashis De
Journal: J Mol Model Date: 2021-01-07 Impact factor: 1.810

10. Sensitivity of photoelectron diffraction to conformational changes of adsorbed molecules: Tetra-tert-butyl-azobenzene/Au(111).

Authors: A Schuler; M Greif; A P Seitsonen; G Mette; L Castiglioni; J Osterwalder; M Hengsberger
Journal: Struct Dyn Date: 2017-02-01 Impact factor: 2.920

Coherent electron transport through an azobenzene molecule: a light-driven molecular switch.

1. Density functional theory characterisation of 4-hydroxyazobenzene.

2. Characterization of a candidate multi-pole molecular switch using computational techniques.

3. Implementation of biomolecular logic gate using DNA and electrically doped GaAs nano-pore: a first principle paradigm.

4. Instability-induced pattern formation of photoactivated functional polymers.

5. Theoretical study of crown ethers with incorporated azobenzene moiety.

6. Twisting the phenyls in aryl diphosphenes (Ar-P=P-Ar). Significant impact upon lowest energy excited states.

7. Tunable Doping in Graphene by Light-Switchable Molecules.

8. First principle approach towards logic design using hydrogen-doped single-strand DNA.

9. Density Functional Theory for Steady-State Nonequilibrium Molecular Junctions.

10. Sensitivity of photoelectron diffraction to conformational changes of adsorbed molecules: Tetra-tert-butyl-azobenzene/Au(111).