Nonequilibrium surface growth in a hybrid inorganic-organic system

@article{Kleppmann2016NonequilibriumSG,
  title={Nonequilibrium surface growth in a hybrid inorganic-organic system},
  author={Nicola Kleppmann and Sabine H. L. Klapp},
  journal={Physical Review B},
  year={2016},
  volume={94},
  pages={241404}
}
Using kinetic Monte Carlo simulations, we show that molecular morphologies found in non-equilibrium growth can be strongly different from those at equilibrium. We study the prototypical hybrid inorganic-organic system 6P on ZnO(10-10) during thin film adsorption, and find a wealth of phenomena including re-entrant growth, a critical adsorption rate and observables that are non-monotonous with the adsorption rate. We identify the transition from lying to standing molecules with a critical… 
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References

SHOWING 1-10 OF 44 REFERENCES
Adsorption mechanisms, structures, and growth regimes of an archetypal self-assembling system: Decanethiol on Au(111)
We present a study using several techniques of the growth of decanethiol monolayers deposited on single-crystal gold surfaces. Through independent measurements of coverage, energetics, and structure
Space-charge transfer in hybrid inorganic-organic systems.
We discuss density functional theory calculations of hybrid inorganic-organic systems that explicitly include the global effects of doping (i.e., position of the Fermi level) and the formation of a
Epitaxy of Rodlike Organic Molecules on Sheet Silicates—A Growth Model Based on Experiments and Simulations
TLDR
An alternative growth model is presented being able to explain molecular adsorption on sheet silicates in terms of molecule−surface interactions only and it is demonstrated that geometrical changes in the substrate surface or molecule lead to different molecular Adsorption geometries and needle directions which can be predicted by the growth model.
A computational study of the sub-monolayer growth of pentacene
A computational study of organic thin-film growth using a combination of ab initio based energy calculations and kinetic Monte Carlo (KMC) simulations is provided. A lattice-based KMC model is used
Nucleation and growth of thin films of rod-like conjugated molecules.
  • G. Hlawacek, C. Teichert
  • Chemistry, Materials Science
    Journal of physics. Condensed matter : an Institute of Physics journal
  • 2013
TLDR
Using the special case of the model molecule para-Sexiphenyl, the challenges that arise from the anisotropic and one-dimensional nature of building blocks are emphasized and methods to control the molecular orientation are discussed.
Pentacene Thin Film Growth
Pentacene stands out as a model molecule among organic semiconductors due to its ability to form well-ordered films that show a high field effect mobility. We discuss the processes involved in
On the nucleation and initial film growth of rod-like organic molecules
TLDR
It will be described how the critical island size can be determined by an independent measurement of the deposition rate dependence of the island density and the capture-zone distribution via a universal relationship.
A scale-bridging modeling approach for anisotropic organic molecules at patterned semiconductor surfaces.
TLDR
A novel, coarse-grained model addressing the condensed phases of a representative hybrid system, that is, para-sexiphenyl (6P) at zinc-oxide (ZnO), where the lateral positions are fixed to a 2D lattice, while the rotational degrees of freedom are continuous.
Electrostatic-field-driven alignment of organic oligomers on ZnO surfaces.
TLDR
It turns out that the in-plane variation of the molecule-substrate interaction energy and the bonding dipole in the vertical direction are linked up by a linear relationship originating from the electrostatic coupling of the molecules with the periodic dipolar electric field generated by the Zn-O surface dimers.
Anisotropic behavior of organic molecules on prepatterned surfaces.
TLDR
The nucleation of organic molecules on surfaces, prepatterned with stripes, is investigated with emphasis on anisotropy effects and the transfer of orientation from a preset row of molecules with fixed orientation to other nucleating particles is examined.
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