Modeling charge transfer at organic donor-acceptor semiconductor interfaces

Keywords

Acceptor, Organic semiconductor, Semiconductor, Density functional theory, Fermi level

References

• Organic–Organic Heterojunction Interfaces: Effect of Molecular OrientationWei Chen, Dongchen Qi, Han Huang — 2011
• From ultrasoft pseudopotentials to the projector augmented-wave methodGeorg Kresse, Daniel P. Joubert — 1999
• Electronic structure of hybrid interfaces for polymer-based electronicsMats Fahlman, A. Crispin, Xavier Crispin — 2007
• First-principles study of the dipole layer formation at metal-organic interfacesP.C. Rusu, Gianluca Giovannetti, Christ H. L. Weijtens — 2009
• Electrostatic doping of graphene through ultrathin hexagonal boron nitride films.Menno Bokdam, Petr A. Khomyakov, Geert Brocks — 2011
• Organic heterojunction and its application for double channel field-effect transistorsJun Wang, Haibo Wang, Xuanjun Yan — 2005
• Electronic Structure and Geminate Pair Energetics at Organic–Organic Interfaces: The Case of Pentacene/C60 HeterojunctionsStijn Verlaak, David Beljonne, David Cheyns — 2009
• Fermi level pinning by integer charge transfer at electrode-organic semiconductor interfacesMenno Bokdam, Deniz Çakır, Geert Brocks — 2011
• Scanning tunneling microscopy and photoelectron spectroscopy investigation of the sexithiophene:C60 donor-acceptor nanostructure formation on graphiteRui Wang, Hongying Mao, Han Huang — 2011
• Orientation-dependent ionization energies and interface dipoles in ordered molecular assemblies.Steffen Duhm, Georg Heimel, Ingo Salzmann — 2008
• Energy level alignment at organic heterojunctions : Role of the charge neutrality levelHéctor Vázquez, Weiying Gao, F. Flóres — 2005
• Energy level alignment at organic/metal interfaces: Dipole and ionization potentialHeiko Peisert, M. Knupfer, J. Fink — 2002
• Energy‐Level Alignment at Organic/Metal and Organic/Organic InterfacesSlawomir Braun, W. R. Salaneck, Mats Fahlman — 2009
• Growth and Characterization of Sexithiophene Single CrystalsGilles Horowitz, B. Bachet, Abderrahim Yassar — 1995
• Fermi level equilibrium at donor-acceptor interfaces in multi-layered thin film stack of TTF and TCNQSlawomir Braun, Xianjie Liu, W. R. Salaneck — 2010
• Ab initio molecular dynamics for liquid metals.Georg Kresse — 1995
• Energy level alignment between sexithiophene and buckminsterfullerene filmsYan Ge, James E. Whitten — 2007
• Molecular Orientation Dependent Energy Level Alignment at Organic−Organic Heterojunction InterfacesWei Chen, Dongchen Qi, Yu Huang — 2009
• Organic semiconductor interfaces: electronic structure and transport propertiesIan G. Hill, Delia J. Milliron, Jeffrey Schwartz — 2000
• Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set.Georg Kresse, J. Furthmüller — 1996

Cited by

• Interface Phenomena in Organic ElectronicsQinye Bao — 2015
• Charge Transfer and Percolation in C60/Pentacene Field‐Effect TransistorsAdrica Kyndiah, Tobias Cramer, Cristiano Albonetti — 2015
• Direct observation of ICT cations at the HTL/transparent semiconductor interfaceStephanie L. Daifuku, Chris Favaro, Alfred P. Marchetti — 2014
• The Study of Organic Semiconductor/Ferromagnet Interfaces in Organic Spintronics: A Short Review of Recent ProgressYiqiang Zhan, Mats Fahlman — 2012
• Self-assembled monolayer engineered interfaces: Energy level alignment tuning through chain length and end-group polarityLinda Lindell, Cecilia Vahlberg, Kajsa Uvdal — 2015
• Surface doping in T6/PDI-8CN2 heterostructures investigated by transport and photoemission measurementsLucrezia Aversa, Roberto Verucchi, Roberta Tatti — 2012
• Energy level alignment in Au/pentacene/PTCDA trilayer stacksParisa Sehati, Slawomir Braun, Mats Fahlman — 2013
• Interface dipoles of organic molecules on Ag(111) in hybrid density-functional theoryOliver T. Hofmann, Viktor Atalla, Nikolaj Moll — 2013
• Role of intrinsic molecular dipole in energy level alignment at organic interfacesLinda Lindell, Deniz Çakır, Geert Brocks — 2013
• Energetics at Doped Conjugated Polymer/Electrode InterfacesQinye Bao, Xianjie Liu, Slawomir Braun — 2015
• Trap‐Assisted Recombination via Integer Charge Transfer States in Organic Bulk Heterojunction PhotovoltaicsQinye Bao, Oskar J. Sandberg, Daniel Dagnelund — 2014
• Energy Level Bending in Ultrathin Polymer Layers Obtained through Langmuir–Shäfer DepositionQinye Bao, Simone Fabiano, L. Mattias Andersson — 2016
• Organic heterojunctions: Contact-induced molecular reorientation, interface states, and charge re-distributionAndreas Opitz, Andreas Wilke, Patrick Amsalem — 2016
• Self-assembly of F16ZnPc thin films and F16ZnPc-ZnPc heterostructures on deactivated Si surfaces studied by scanning tunneling microscopy.Andrew Tan, S. Wagner, Pengpeng Zhang — 2017
• The thickness of the two-dimensional charge transfer state at the TTF-TCNQ interfaceBhupal Kattel, Ti Wang, Tika R. Kafle — 2017
• Distinguishing between Charge-Transfer Mechanisms at Organic/Inorganic Interfaces Employing Hybrid FunctionalsElisabeth Wruß, Egbert Zojer, Oliver T. Hofmann — 2018
• Influence of perfluorinated ionomer in PEDOT:PSS on the rectification and degradation of organic photovoltaic cellsCalvyn T. Howells, Sueda Saylan, Haeri Kim — 2018
• Interfaces of (Ultra)thin Polymer Films in Organic ElectronicsQinye Bao, Slawomir Braun, Chuanfei Wang — 2018
• Charge-transfer peculiarities in mesoporous BiVO4 surfaces with anchored indoline dyesKarolina Ordon, Victor Ishrayelu Merupo, Sandrine Coste — 2018
• Interfaces in organic electronicsMats Fahlman, Simone Fabiano, Viktor Gueskine — 2019

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