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Title: Band Bending Engineering at Organic/Inorganic Interfaces Using Organic Self-Assembled Monolayers

 [1];  [2]
  1. Graz University of Technology, Institute of Solid State Physics, NAWI Graz, Petersgasse 16/II 8010 Graz Austria, Fritz Haber Institute of the Max Planck Society, Faradayweg 4-6 14195 Berlin Germany
  2. Fritz Haber Institute of the Max Planck Society, Faradayweg 4-6 14195 Berlin Germany, COMP/Department of Applied Physics, Aalto University, P.O. Box 11100 Aalto FI-00076 Finland
Publication Date:
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Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Advanced Electronic Materials
Additional Journal Information:
Journal Name: Advanced Electronic Materials Journal Volume: 3 Journal Issue: 6; Journal ID: ISSN 2199-160X
Wiley Blackwell (John Wiley & Sons)
Country of Publication:
United States

Citation Formats

Hofmann, Oliver T., and Rinke, Patrick. Band Bending Engineering at Organic/Inorganic Interfaces Using Organic Self-Assembled Monolayers. United States: N. p., 2017. Web. doi:10.1002/aelm.201600373.
Hofmann, Oliver T., & Rinke, Patrick. Band Bending Engineering at Organic/Inorganic Interfaces Using Organic Self-Assembled Monolayers. United States. doi:10.1002/aelm.201600373.
Hofmann, Oliver T., and Rinke, Patrick. Wed . "Band Bending Engineering at Organic/Inorganic Interfaces Using Organic Self-Assembled Monolayers". United States. doi:10.1002/aelm.201600373.
title = {Band Bending Engineering at Organic/Inorganic Interfaces Using Organic Self-Assembled Monolayers},
author = {Hofmann, Oliver T. and Rinke, Patrick},
abstractNote = {},
doi = {10.1002/aelm.201600373},
journal = {Advanced Electronic Materials},
number = 6,
volume = 3,
place = {United States},
year = {2017},
month = {1}

Journal Article:
Free Publicly Available Full Text
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DOI: 10.1002/aelm.201600373

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Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Efficient Charge Collection with ZnO Nanorod Array in Hybrid Photovoltaic Devices
journal, May 2007

  • Takanezawa, Kazuko; Hirota, Kouske; Wei, Qing-Shuo
  • The Journal of Physical Chemistry C, Vol. 111, Issue 19
  • DOI: 10.1021/jp071418n

Hybrid density functional theory meets quasiparticle calculations: A consistent electronic structure approach
journal, October 2013

Concentration of Vacancies at Metal-Oxide Surfaces: Case Study of MgO(100)
journal, July 2013

Lattice relaxations at substitutional impurities in semiconductors
journal, September 1987

Pyridine adsorption on the polar ZnO(0001) surface: Zn termination versus O termination
journal, February 2000

  • Hövel, St.; Kolczewski, C.; Wühn, M.
  • The Journal of Chemical Physics, Vol. 112, Issue 8
  • DOI: 10.1063/1.480942

Hybrid functionals based on a screened Coulomb potential
journal, May 2003

  • Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias
  • The Journal of Chemical Physics, Vol. 118, Issue 18
  • DOI: 10.1063/1.1564060

van der Waals Interactions in Ionic and Semiconductor Solids
journal, December 2011

Integer Charge Transfer and Hybridization at an Organic Semiconductor/Conductive Oxide Interface
journal, February 2015

  • Gruenewald, Marco; Schirra, Laura K.; Winget, Paul
  • The Journal of Physical Chemistry C, Vol. 119, Issue 9
  • DOI: 10.1021/jp512153b

Large work function reduction by adsorption of a molecule with a negative electron affinity: Pyridine on ZnO(101¯0)
journal, November 2013

  • Hofmann, Oliver T.; Deinert, Jan-Christoph; Xu, Yong
  • The Journal of Chemical Physics, Vol. 139, Issue 17
  • DOI: 10.1063/1.4827017

Controlling the work function of ZnO and the energy-level alignment at the interface to organic semiconductors with a molecular electron acceptor
journal, April 2013

Space-Charge Transfer in Hybrid Inorganic-Organic Systems
journal, November 2013

Electronic properties of a zinc oxide surface modified by ultra-thin layers of conjugated organic molecules
journal, July 2005

Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data
journal, February 2009

Reducing the Metal Work Function beyond Pauli Pushback: A Computational Investigation of Tetrathiafulvalene and Viologen on Coinage Metal Surfaces
journal, December 2008

  • Hofmann, Oliver T.; Rangger, Gerold M.; Zojer, Egbert
  • The Journal of Physical Chemistry C, Vol. 112, Issue 51
  • DOI: 10.1021/jp806834g

Orientation of benzene and pyridine on ZnO(101¯0)
journal, November 1993

Fermi level equilibrium at donor–acceptor interfaces in multi-layered thin film stack of TTF and TCNQ
journal, February 2010

Orientation-dependent ionization energies and interface dipoles in ordered molecular assemblies
journal, February 2008

  • Duhm, Steffen; Heimel, Georg; Salzmann, Ingo
  • Nature Materials, Vol. 7, Issue 4
  • DOI: 10.1038/nmat2119

Hybrid functional studies of the oxygen vacancy in TiO 2
journal, February 2010

Charge Injection Barrier Heights Across Multilayer Organic Thin Films
journal, June 2005

  • Murdey, Richard J.; Salaneck, William R.
  • Japanese Journal of Applied Physics, Vol. 44, Issue 6A
  • DOI: 10.1143/JJAP.44.3751

Raman and surface-enhanced Raman spectroscopy of the three redox forms of 4,4'-bipyridine
journal, March 1989

  • Lu, Tianhong; Cotton, Therese M.; Birke, Ronald L.
  • Langmuir, Vol. 5, Issue 2
  • DOI: 10.1021/la00086a021

Defect energetics in ZnO: A hybrid Hartree-Fock density functional study
journal, June 2008

Integer particle preference during charge transfer in Kohn-Sham theory
journal, November 2012

Stabilization of semiconductor surfaces through bulk dopants
journal, August 2013

Integer versus Fractional Charge Transfer at Metal(/Insulator)/Organic Interfaces: Cu(/NaCl)/TCNE
journal, April 2015

Native point defects in ZnO
journal, October 2007

Back Cover: Simulating the organic-molecule/metal interface TCNQ/Au(111) (Phys. Status Solidi B 9/2011)
journal, August 2011

  • Martínez, José I.; Abad, Enrique; Flores, Fernando
  • physica status solidi (b), Vol. 248, Issue 9
  • DOI: 10.1002/pssb.201190028

Influence of the exchange screening parameter on the performance of screened hybrid functionals
journal, December 2006

  • Krukau, Aliaksandr V.; Vydrov, Oleg A.; Izmaylov, Artur F.
  • The Journal of Chemical Physics, Vol. 125, Issue 22
  • DOI: 10.1063/1.2404663

Quantum-Chemical Characterization of the Origin of Dipole Formation at Molecular Organic/Organic Interfaces
journal, February 2009

  • Avilov, Igor; Geskin, Victor; Cornil, Jérôme
  • Advanced Functional Materials, Vol. 19, Issue 4
  • DOI: 10.1002/adfm.200800632

Energy-Level Alignment at Organic/Metal and Organic/Organic Interfaces
journal, April 2009

  • Braun, Slawomir; Salaneck, William R.; Fahlman, Mats
  • Advanced Materials, Vol. 21, Issue 14-15, p. 1450-1472
  • DOI: 10.1002/adma.200802893

Organic Charge-transfer Salts and the Component Molecules in Organic Transistors
journal, May 2011

STM study of the geometric and electronic structure of ZnO()-Zn, ()-O, (), and () surfaces
journal, November 2002

Multiscale approach to the electronic structure of doped semiconductor surfaces
journal, February 2015

Seeing both sides
journal, May 2010

  • Santato, Clara; Rosei, Federico
  • Nature Chemistry, Vol. 2, Issue 5
  • DOI: 10.1038/nchem.636

Some Fundamental Issues in Ground-State Density Functional Theory: A Guide for the Perplexed
journal, March 2009

  • Perdew, John P.; Ruzsinszky, Adrienn; Constantin, Lucian A.
  • Journal of Chemical Theory and Computation, Vol. 5, Issue 4
  • DOI: 10.1021/ct800531s

Interface dipoles of organic molecules on Ag(111) in hybrid density-functional theory
journal, December 2013

Inverted bulk-heterojunction organic photovoltaic device using a solution-derived ZnO underlayer
journal, October 2006

  • White, M. S.; Olson, D. C.; Shaheen, S. E.
  • Applied Physics Letters, Vol. 89, Issue 14, Article No. 143517
  • DOI: 10.1063/1.2359579

Spectroscopy and control of near-surface defects in conductive thin film ZnO
journal, February 2016

Highly Efficient and Stable Inverted Polymer Solar Cells Integrated with a Cross-Linked Fullerene Material as an Interlayer
journal, April 2010

  • Hsieh, Chao-Hsiang; Cheng, Yen-Ju; Li, Pei-Jung
  • Journal of the American Chemical Society, Vol. 132, Issue 13
  • DOI: 10.1021/ja100236b

Electrical properties of bulk ZnO
journal, February 1998

Ab initio molecular simulations with numeric atom-centered orbitals
journal, November 2009

  • Blum, Volker; Gehrke, Ralf; Hanke, Felix
  • Computer Physics Communications, Vol. 180, Issue 11
  • DOI: 10.1016/j.cpc.2009.06.022

Adsorbate-substrate and adsorbate-adsorbate interactions of Na and K adlayers on Al(111)
journal, December 1992

Work-Function Modification beyond Pinning: When Do Molecular Dipoles Count?
journal, November 2010

  • Hofmann, Oliver T.; Egger, David A.; Zojer, Egbert
  • Nano Letters, Vol. 10, Issue 11
  • DOI: 10.1021/nl101874k

A comprehensive review of ZnO materials and devices
journal, August 2005

  • Özgür, Ü.; Alivov, Ya. I.; Liu, C.
  • Journal of Applied Physics, Vol. 98, Issue 4
  • DOI: 10.1063/1.1992666

High performance ambient processed inverted polymer solar cells through interfacial modification with a fullerene self-assembled monolayer
journal, December 2008

  • Hau, Steven K.; Yip, Hin-Lap; Ma, Hong
  • Applied Physics Letters, Vol. 93, Issue 23
  • DOI: 10.1063/1.3028094

Hybrid functionals for large periodic systems in an all-electron, numeric atom-centered basis framework
journal, July 2015

  • Levchenko, Sergey V.; Ren, Xinguo; Wieferink, Jürgen
  • Computer Physics Communications, Vol. 192
  • DOI: 10.1016/j.cpc.2015.02.021