5CB plus Dopants

Generation
Gen 4

We summarize the calculated Generation 4 (Metal Surface Model) binding energy of different mesogens with the corresponding experimental results on separate Mesogen Pages. Please note that we update the publicly available list of mesogens when new publication appears and/or patenting process is finished.

 

Model Structure
5CB
Mesogen Data Table
Code Image Metal Binding Energy Computational Method Experimental Anchoring Published References
5CB + PhCOOH
Au(111)
-0.93
PBE-D3
Published
5CB + PhCOO
Au(111)
-2.50
PBE-D3
Homeotropic
Published
PhCOONa
Au(111)
-1.01
PBE-D3
Planar
Published
PhCOOMe
Au(111)
-1.08
PBE-D3
Planar
Published
Experimental Structures
Export Data