Get access
Advertisement

Surface Modification of Indium-Tin-Oxide Via Self-Assembly of a Donor-Acceptor Complex: A Density Functional Theory Study

Authors

  • Hong Li,

    1. School of Chemistry and Biochemistry and Center for Organic Photonics and Electronics Georgia Institute of Technology, Atlanta, Georgia 30332-0400, USA
    Search for more papers by this author
  • Paul Winget,

    1. School of Chemistry and Biochemistry and Center for Organic Photonics and Electronics Georgia Institute of Technology, Atlanta, Georgia 30332-0400, USA
    Search for more papers by this author
  • Jean-Luc Bredas

    Corresponding author
    1. School of Chemistry and Biochemistry and Center for Organic Photonics and Electronics Georgia Institute of Technology, Atlanta, Georgia 30332-0400, USA
    2. Department of Chemistry, King Abdulaziz University, Jeddah 21589, Saudi Arabia
    • School of Chemistry and Biochemistry and Center for Organic Photonics and Electronics Georgia Institute of Technology, Atlanta, Georgia 30332-0400, USA.===

    Search for more papers by this author

  • The authors dedicate this article and wish the very best to Professor Klaus Müllen at the occasion of his 65th birthday. Klaus has been a collaborator for over fifteen years, a constant source of inspiration in our own work, and most importantly a great friend!

Abstract

original image

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.

Get access to the full text of this article

Ancillary