Interfacial contact characteristics between FOTS SAMs and SiO_2 under electric field

Molecular dynamics simulation software package Materials Studio5.0 was used to calculate the binding energy between self-assembled monolayer FOTS and SiO2 substrate at different electric field strengths and directions.Results show that the interface binding energy both increases whether the applied electric field is positive or negative when the electric field strength is less than 3.0×108 V/m,while the interface binding energy for the positive electric field increases more.But the binding energy of the interface changes a little when both the positive and negative electric field strengths increase.At the same time, the interaction energy between FOTS and SiO2 substrate was analyzed,and the results show that the key influencing foctor for the binding property is the Van der Waals force in the system,and the contribution of dispersive force in van der Waals force is the most important one.