First-principles study of the dipole layer formation at metal-organic interfaces
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- Type
- article
- Published
- 2009-08-31
- Cited by
- 46
- References
- 136
- Access
- Open access
- OpenAlex
- https://openalex.org/W1988447020
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:119249613
Keywords
Work function, Monolayer, Adsorption, Perylene, Chemical physics
References
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- Electronegativity and charge-injection barrier at organic/metal interfaces
- Theoretical study of PTCDA adsorbed on the coinage metal surfaces, Ag(111), Au(111) and Cu(111)
- ENERGY LEVEL ALIGNMENT AND INTERFACIAL ELECTRONIC STRUCTURES AT ORGANIC/METAL AND ORGANIC/ORGANIC INTERFACES
- Projector augmented-wave method.
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- Computer simulations for organic light-emitting diiodes
- Hauschild et al. Reply
- Physical interpretation and evaluation of the Kohn-Sham and Dyson components of the epsilon-I relations between the Kohn-Sham orbital energies and the ionization potentials
- Work Function Pinning at Metal-Organic Interfaces
- Valence electronic structure of gas-phase 3,4,9,10-perylene tetracarboxylic acid dianhydride: Experiment and theory
- From ultrasoft pseudopotentials to the projector augmented-wave method
- Interface energetics and level alignment at covalent metal-molecule junctions: pi-conjugated thiols on gold.
- The electronic structure of benzene adsorbed on Ag(111) studied by angle resolved photoemission
- Electronic structure of hybrid interfaces for polymer-based electronics
- Epitaxial growth of 3,4,9,10-perylene-tetracarboxylic-dianhydride on Au(111): A STM and RHEED study
Cited by
- Small optical gap molecules and polymers: using theory to design more efficient materials for organic photovoltaics.
- Electrostatic doping of graphene through ultrathin hexagonal boron nitride films.
- Self-Assembled Monolayer Induced Au(111) and Ag(111) Reconstructions: Work Functions and Interface Dipole Formation
- Fermi level pinning by integer charge transfer at electrode-organic semiconductor interfaces
- Interface dipole effects as a function of molecular tilt: Mechanical gating of electron tunneling through self-assembled monolayers?
- Barrier height formation for the PTCDA/Au(1 1 1) interface
- Modeling charge transfer at organic donor-acceptor semiconductor interfaces
- Defect‐Driven Interfacial Electronic Structures at an Organic/Metal‐Oxide Semiconductor Heterojunction
- Impact of Functionalized Polystyrenes as the Electron Injection Layer on Gold and Aluminum Surfaces: A Combined Theoretical and Experimental Study
- Interfacial Electronic Structure of the Dipolar Vanadyl Naphthalocyanine on Au(111): “Push-Back” vs Dipolar Effects
- Molecular distortion and charge transfer effects in ZnPc/Cu(111)
- Origin of Work Function Modification by Ionic and Amine‐Based Interface Layers
- A quantum-chemical perspective into low optical-gap polymers for highly-efficient organic solar cells
- Role of intrinsic molecular dipole in energy level alignment at organic interfaces
- Surface state engineering of molecule-molecule interactions.
- Secondary electron imaging of nanostructures using Extreme Ultra‐Violet attosecond pulse trains and Infra‐Red femtosecond pulses
- Effects of energetic disorder on the low-frequency differential capacitance of organic light emitting diodes
- First-principles study of electronic properties of interfacial atoms in metal-metal contact electrification
- In-situ probing of thermal desorption of vapor molecules on a nanowire via work function variance
- Device Physics of Organic Solar Cells
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