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Surface modification of indium-tin-oxide via self-assembly of a donor-acceptor complex: a density functional theory
Hong Li1, Paul Winget, Jean-Luc Bredas
1School of Chemistry and Biochemistry and Center for Organic Photonics and Electronics Georgia Institute of Technology, Atlanta, Georgia 30332-0400, USA.
Abstract:
The authors study at the density-functional theory level the modification of the electronic structure of the ITO surface upon self-assembly of a monolayer of t-butyl carbazole-substituted phosphonic acid molecules and subsequent p-doping. The results of the calculations point to the existence of two channels for charge transfer. These channels can enhance hole injection between ITO and a hole-transport overlayer through the chemically-modified interface.
