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

Komolov, A. S.; Møller, Preben J.; Mortensen, John; Komolov, S. A.; Lazneva, E. F.

doi:10.1016/j.susc.2005.05.006

Cited by 28 publications

(26 citation statements)

References 25 publications

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“…This corresponds to migration of oxygen atoms from the TiO 2 surface into the CuPc film and the concentration of oxygen was estimated as one oxygen atom per one CuPc molecule for the films up to 5 nm thick. The authors have earlier observed migration of the substrate atomic components into CuPc films when ZnO and a number of binary semiconductor substrates were used [31,32]. Analogous migration phenomena were reported for a number of other organic films and their interfaces [18,19,33].…”

Section: Methodsmentioning

confidence: 59%

“…The peaks analogous to peak ''O'' in the TCS fine structure of the CuPc film (Fig. 2) were observed for CuPc films on a number oxygen containing substrates such as SiO 2 and ZnO [31,32]. The authors attribute the peak ''O'' to the influence of O 2p orbitals on the structure of the unoccupied electronic states of the CuPc films.…”

Section: Resultsmentioning

confidence: 90%

“…2. When the film thickness reaches 4-5 nm one can observe the TCS fine structure typical for the CuPc films on a number of substrates [31,32]. On the increase in the film thickness up to 7 nm the intensity of the peaks A, B, B 1 , C 1 , and C 2 , is increased and comes to saturation.…”

Section: Resultsmentioning

confidence: 94%

See 2 more Smart Citations

Modification of the electronic properties of the TiO2 (110) surface upon deposition of the ultrathin conjugated organic layers

Komolov

Møller

Mortensen

et al. 2007

Applied Surface Science

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Section: Methodsmentioning

confidence: 59%

Section: Resultsmentioning

confidence: 90%

See 1 more Smart Citation

Modification of the electronic properties of the TiO2 (110) surface upon deposition of the ultrathin conjugated organic layers

Komolov

Møller

Mortensen

et al. 2007

Applied Surface Science

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“…[11][12][13][14] Several studies have also investigated specific organic / ZnO interfaces, both theoretically and experimentally. [15][16][17][18] Winget et al…”

Section: Introductionmentioning

confidence: 99%

Integer Charge Transfer and Hybridization at an Organic Semiconductor/Conductive Oxide Interface

et al. 2015

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We investigate the prototypical hybrid interface formed between PTCDA and conductive ndoped ZnO films by means of complementary optical and electronic spectroscopic techniques.We demonstrate that shallow donors in the vicinity of the ZnO surface cause an integer charge transfer to PTCDA, which is clearly restricted to the first monolayer. By means of DFT calculations, we show that the experimental signatures of the anionic PTCDA species can be understood in terms of strong hybridization with localized states (the shallow donors) in the substrate and charge back-donation, resulting in an effectively integer charge transfer across the interface. Charge transfer is thus not merely a question of locating the Fermi level above the PTCDA electron-transport level, but requires rather an atomistic understanding of the interfacial interactions. The study reveals that defect sites and dopants can have a significant influence on the specifics of interfacial coupling and thus on carrier injection or extraction.

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“…[4,5] and references therein). As to the substrate, ZnO is known to have suitable energy characteristics for many opto-electronic applications [12], and it has been studied experimentally in combination with various COMs including 6P [13,14]. Indeed, ZnO is already used in prototype hybrid devices [15,16].…”

Section: Introductionmentioning

confidence: 99%

A scale-bridging modeling approach for anisotropic organic molecules at patterned semiconductor surfaces

Kleppmann

Klapp

2015

The Journal of Chemical Physics

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Hybrid systems consisting of organic molecules at inorganic semiconductor surfaces are gaining increasing importance as thin film devices for optoelectronics. The efficiency of such devices strongly depends on the collective behavior of the adsorbed molecules. In the present paper we propose a novel, coarse-grained model addressing the condensed phases of a representative hybrid system, that is, para-sexiphenyl (6P) at zinc-oxide (ZnO). Within our model, intermolecular interactions are represented via a Gay-Berne potential (describing steric and van-der-Waals interactions) combined with the electrostatic potential between two linear quadrupoles. Similarly, the molecule-substrate interactions include a coupling between a linear molecular quadrupole to the electric field generated by the line charges characterizing ZnO(10-10). To validate our approach, we perform equilibrium Monte Carlo simulations, where the lateral positions are fixed to a 2D lattice, while the rotational degrees of freedom are continuous. We use these simulations to investigate orientational ordering in the condensed state. We reproduce various experimentally observed features such as the alignment of individual molecules with the line charges on the surface, the formation of a standing uniaxial phase with a herringbone structure, as well as the formation of a lying nematic phase.

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

Cited by 28 publications

References 25 publications

Modification of the electronic properties of the TiO2 (110) surface upon deposition of the ultrathin conjugated organic layers

Modification of the electronic properties of the TiO2 (110) surface upon deposition of the ultrathin conjugated organic layers

Integer Charge Transfer and Hybridization at an Organic Semiconductor/Conductive Oxide Interface

A scale-bridging modeling approach for anisotropic organic molecules at patterned semiconductor surfaces

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