One of the main objectives of nanoscale research is the bottom-up creation of devices with complex functions. When the device is supported on a solid surface, the impact of the substrate has to be considered in designing the self-assembly process. Theoretical investigations of surface adsorption, self-assembly, and the properties of the resulting materials are challenging. This is because quantum mechanical information about the molecules, the surface, and their interactions must ultimately be incorporated in bulk simulations. This talk will describe our group's efforts in advancing the understanding of the field-induced switching in mixed alkylthiol/azobenzene monolayers. The results of our sequential multiple-scale approach to examine the field and density dependence of the switching process will be discussed.

Switching behavior of a chemisorbed azobenzene derivative in STM fields: A theoretical perspective

244th National Meeting (2012)

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