title: Surface modification of indium-tin-oxide via self-assembly of a donor-acceptor complex: a density functional theory study.
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.
authors: School of Chemistry and Biochemistry and Center for Organic Photonics and Electronics Georgia Institute of Technology, Atlanta, Georgia 30332-0400, USA.
authors: Hong
authors: H
authors: Li
authors: Paul
authors: P
authors: Winget
authors: Jean-Luc
authors: JL
authors: Bredas
mesh_terms: D008958:Models, Molecular; D011789:Quantum Theory; D013499:Surface Properties; D017971:Tin Compounds / Q000737:chemistry*
chemical_list: D017971:Tin Compounds; C109984:indium tin oxide