(247ak) Self-Assembled Multilayer Stacking of Titanyl Phthalocyanines on Graphene Surface

Self-assembled Multilayer Stacking of Titanyl
Phthalocyanines on Graphene Surface

Lalitasri
Ravavarapu^± and Pabitra Choudhury^±

±Department
of Chemical Engineering, New Mexico Tech, Socorro, NM

Abstract:

The creation of flexible and mechanically robust electronic materials
with high
conductivity and desirable aspect ratio is a major challenge.  Conventional electronics is based on solid
inorganic materials with very high conductivities but with limited mechanical
robustness and flexibility.  Conversely,
soft organic materials, because of their low conductivity range, limiting their
practical implementation in electronics. 
Recently, the developments of hybrid materials, which have very high
conductivity, have also been focused on realizing flexible and conductive
microelectronics.  However, synthesis,
assembly and compatibility of hybrid materials on a flexible substrate remain
the critical barriers to develop flexible advanced Nano-electronics.  In this study we work with the Titanyl Phthalocyanines (TiOPc) which are non-planar molecules and grow in step
flowing mode when deposited on flexible and atomically thin layer of graphene
substrate.  We used combined Density
Functional Theory (DFT) and experiments to understand the growth mechanism of
multilayer stacking of TiOPcs on graphene surface by
calculating energetics, diffusion barriers and electronic structures of mono/bi/multi-layer
TiOPc functionalized graphene substrate.

Acknowledgement:

DFT calculation
work was also supported from NSF TeraGrid (XSEDE)
resources under allocation number [TG-DMR140131]. Use of the Center for
Nanoscale Materials was supported by the US Department of Energy, Office of
Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357.