Nickel oxide (NiO) is a widely used material for efficient hole extraction in optoelectronic devices. However, its surface characteristics strongly depend on the processing history and exposure to adsorbates. To achieve controllability of the electronic and chemical properties of solution-processed nickel oxide (sNiO), we functionalize its surface with a self-assembled monolayer (SAM) of 4-cyanophenylphosphonic acid. A detailed analysis of infrared and photoelectron spectroscopy shows the chemisorption of the molecules with a nominal layer thickness of around one monolayer and gives an insight into the chemical composition of the SAM. Density functional theory calculations reveal the possible binding configurations. By the application of the SAM, we increase the sNiO work function by up to 0.8 eV. When incorporated in organic solar cells, the increase in work function and improved energy level alignment to the donor does not lead to a higher fill factor of these cells. Instead, we observe the formation of...
%0 Journal Article
%1 AK68
%A Hietzschold, Sebastian
%A Hillebrandt, Sabina
%A Ullrich, Florian
%A Bombsch, Jakob
%A Rohnacher, Valentina
%A Ma, Shuangying
%A Liu, Wenlan
%A Köhn, Andreas
%A Jaegermann, Wolfram
%A Pucci, Annemarie
%A Kowalsky, Wolfgang
%A Mankel, Eric
%A Beck, Sebastian
%A Lovrincic, Robert
%D 2017
%J ACS Appl. Mater. Interfaces
%K self-assembled_monolayers köhn density_functional_theory theoretische stuttgart chemie koehn metal_oxides hybrid_interfaces from:alexanderdenzel solar_cells theochem
%N 45
%P 39821–39829
%R 10.1021/acsami.7b12784
%T Functionalized Nickel Oxide Hole Contact Layers: Work Function versus Conductivity
%U http://dx.doi.org/10.1021/acsami.7b12784
%V 9
%X Nickel oxide (NiO) is a widely used material for efficient hole extraction in optoelectronic devices. However, its surface characteristics strongly depend on the processing history and exposure to adsorbates. To achieve controllability of the electronic and chemical properties of solution-processed nickel oxide (sNiO), we functionalize its surface with a self-assembled monolayer (SAM) of 4-cyanophenylphosphonic acid. A detailed analysis of infrared and photoelectron spectroscopy shows the chemisorption of the molecules with a nominal layer thickness of around one monolayer and gives an insight into the chemical composition of the SAM. Density functional theory calculations reveal the possible binding configurations. By the application of the SAM, we increase the sNiO work function by up to 0.8 eV. When incorporated in organic solar cells, the increase in work function and improved energy level alignment to the donor does not lead to a higher fill factor of these cells. Instead, we observe the formation of...
@article{AK68,
abstract = {Nickel oxide (NiO) is a widely used material for efficient hole extraction in optoelectronic devices. However, its surface characteristics strongly depend on the processing history and exposure to adsorbates. To achieve controllability of the electronic and chemical properties of solution-processed nickel oxide (sNiO), we functionalize its surface with a self-assembled monolayer (SAM) of 4-cyanophenylphosphonic acid. A detailed analysis of infrared and photoelectron spectroscopy shows the chemisorption of the molecules with a nominal layer thickness of around one monolayer and gives an insight into the chemical composition of the SAM. Density functional theory calculations reveal the possible binding configurations. By the application of the SAM, we increase the sNiO work function by up to 0.8 eV. When incorporated in organic solar cells, the increase in work function and improved energy level alignment to the donor does not lead to a higher fill factor of these cells. Instead, we observe the formation of...},
added-at = {2019-02-06T13:16:26.000+0100},
author = {Hietzschold, Sebastian and Hillebrandt, Sabina and Ullrich, Florian and Bombsch, Jakob and Rohnacher, Valentina and Ma, Shuangying and Liu, Wenlan and K{\"{o}}hn, Andreas and Jaegermann, Wolfram and Pucci, Annemarie and Kowalsky, Wolfgang and Mankel, Eric and Beck, Sebastian and Lovrincic, Robert},
biburl = {https://puma.ub.uni-stuttgart.de/bibtex/2f304b54c40d03e3b2383309f06926a71/theochem},
doi = {10.1021/acsami.7b12784},
interhash = {7483806cb22905a9466be7033433a0d5},
intrahash = {f304b54c40d03e3b2383309f06926a71},
issn = {19448252},
journal = {ACS Appl. Mater. Interfaces},
keywords = {self-assembled_monolayers köhn density_functional_theory theoretische stuttgart chemie koehn metal_oxides hybrid_interfaces from:alexanderdenzel solar_cells theochem},
number = 45,
pages = {39821–39829},
timestamp = {2019-02-06T12:16:26.000+0100},
title = {{Functionalized Nickel Oxide Hole Contact Layers: Work Function versus Conductivity}},
url = {http://dx.doi.org/10.1021/acsami.7b12784},
volume = 9,
year = 2017
}
