scholarly journals Spin Transport Properties of One-Dimensional Benzene Ligand Organobimetallic Sandwich Molecular Wires

ACS Omega ◽  
2020 ◽  
Vol 5 (10) ◽  
pp. 5534-5539
Author(s):  
Keyu Lu ◽  
Weicheng Gao ◽  
Mingxia Xu ◽  
Yi Sun ◽  
Jie Li ◽  
...  
Keyword(s):  
Transport Properties ◽  
Spin Transport ◽  
Molecular Wires ◽  
One Dimensional

scholarly journals Spin transport properties of triarylamine-based nanowires

2014 ◽  
Vol 50 (50) ◽  
pp. 6626-6629 ◽  
Author(s):  
Sandip Bhattacharya ◽  
Akinlolu Akande ◽  
Stefano Sanvito
Keyword(s):  
Transport Properties ◽  
Spin Transport ◽  
Hole Transport ◽  
Light Irradiation ◽  
One Dimensional

Triarylamine-derivatives can self-assemble upon light irradiation in one-dimensional nanowires with remarkable hole transport properties. Here we present the spin transport properties of these nanowires evaluated from a rigorous multiscale procedure.

Half-metallic behavior in ruthenium-cyclopentadienyl organometallic sandwich molecules

2019 ◽  
Vol 21 (40) ◽  
pp. 22475-22481 ◽  
Author(s):  
Roghayeh Farzadi ◽  
Hossain Milani Moghaddam
Keyword(s):  
Transport Properties ◽  
Spin Transport ◽  
Gold Electrodes ◽  
Metallic Behavior ◽  
Half Metallic ◽  
One Dimensional

We have theoretically investigated spin transport properties of one-dimensional ruthenium-cyclopentadienyl sandwich molecules, Run(Cp)n+1, between two gold electrodes.

scholarly journals Describing chain-like assembly of ethoxygroup-functionalized organic molecules on Au(111) using high-throughput simulations

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Lokamani ◽  
Jeffrey Kelling ◽  
Robin Ohmann ◽  
Jörg Meyer ◽  
Tim Kühne ◽  
...  
Keyword(s):  
High Throughput ◽  
Energy Function ◽  
Organic Molecules ◽  
Molecular Wires ◽  
Scanning Tunneling ◽  
Tunneling Microscopy ◽  
Intermolecular Interaction Energy ◽  
One Dimensional ◽  
Coverage Density ◽  
Clustering Approach

AbstractDue to the low corrugation of the Au(111) surface, 1,4-bis(phenylethynyl)-2,5-bis(ethoxy)benzene (PEEB) molecules can form quasi interlocked lateral patterns, which are observed in scanning tunneling microscopy experiments at low temperatures. We demonstrate a multi-dimensional clustering approach to quantify the anisotropic pair-wise interaction of molecules and explain these patterns. We perform high-throughput calculations to evaluate an energy function, which incorporates the adsorption energy of single PEEB molecules on the metal surface and the intermolecular interaction energy of a pair of PEEB molecules. The analysis of the energy function reveals, that, depending on coverage density, specific types of pattern are preferred which can potentially be exploited to form one-dimensional molecular wires on Au(111).

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