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

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

doi:10.1016/j.apsusc.2007.03.024

Cited by 26 publications

(32 citation statements)

References 36 publications

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“…The ionization potential of the F 16 -CuPc films was determined as about 6 eV, which is approximately 1.1 eV higher than the ionization potential of the unsubstituted CuPc. There has been shown that CuPc molecules act as electron donors relatively to the silicon, titanium and zinc oxide surfaces [21] while electron acceptor behavior is expected from F 16 -CuPc [6,20]. In this paper the authors present the TCS results on the band alignment and on DOUS at the interface of the CuPc and F 16 -CuPc ultra-thin layers.…”

Section: Introductionmentioning

confidence: 94%

“…The thickness of the overlayer deposited was controlled using a quartz microbalance as well as using the analysis of the attenuation of the TCS signal from the underlayer [16,[21][22][23]. The LEED unit installed was used as a main instrumentation for the measurements according to the TCS method described in detail in [17][18][19].…”

Section: Methodsmentioning

confidence: 99%

“…The electrical current J(E) of the electrons transmitted through the sample as a function of the electron beam energy is registered during the experiment. Typically the derivative S(E) of the electric current is registered using the phasedetection preamplifier [16,21]. The TCS spectrum consists of the primary TCS peak and the TCS fine structure.…”

Section: Methodsmentioning

confidence: 99%

“…In order to form the film structure CuPc/F 16 -CuPc studied the layer of F 16 -CuPc was deposited onto the (SiO 2 )n-Si substrate, then the layer of the CuPc material was deposited on top. The TCS measurements [16,21,22] were made during the organic film deposition. The UHV system base pressure was 10 −7 Pa.…”

Section: Methodsmentioning

confidence: 99%

“…There has been shown that the TCS fine structure is closely related to the density of the unoccupied electron states (DOUS) of the sample surface as if the peaks of the negative second derivative of the transmitted current -d 2 J(E)/dE 2 = -dS(E)/dE represent the DOUS peaks [21,24,25]. The quantum-chemical calculations were performed using the density functional theory (DFT) with the Gaussian software [26].…”

Section: Methodsmentioning

confidence: 99%

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Low-energy electron transmission for the analysis of the interface barrier formation and the density of the unoccupied electronic states in the ultra-thin layers of fluorinated copper-phthalocyanine

Komolov¹,

Lazneva²,

Akhremtchik³

et al. 2015

Organic Photonics and Photovoltaics

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Abstract:The interfacial structure made from the thermally deposited 5 -7 nm thick layers of hexadecafluoro copper phthalocyanine (F 16 -CuPc) and of the unsubstituted copper phthalocyanine (CuPc) was subjected to the studies. The surface work function and the density of the unoccupied electron states (DOUS) located 5-20 eV above the Fermi level (E F ) were investigated during the CuPc/F 16 -CuPc interface formation using the very low energy electron diffraction (VLEED) method and the total current spectroscopy (TCS) measurement scheme. The DOUS peak structure of the organic films studied obtained from the TCS results showed a good correspondence to the main π* and σ* DOUS bands obtained from the density functional theory (DFT) calculations. The interfacial barrier was characterized by the negative charge transfer from the CuPc overlayer to the F 16 -CuPc underlayer occurred within the 5 nm thick interfacial region in the CuPc overlayer which was accompanied by the decrease of the surface work function from 4.9±0.1 eV to 4.3±0.1 eV. The stabilization of the π* DOUS bands, as well as restructuring of the low lying σ* bands was observed in the in the case of the fluorinated film (F 16 -CuPc) compared to the case of the unsubstituted CuPc film.

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Section: Introductionmentioning

confidence: 94%

Section: Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

See 3 more Smart Citations

Low-energy electron transmission for the analysis of the interface barrier formation and the density of the unoccupied electronic states in the ultra-thin layers of fluorinated copper-phthalocyanine

Komolov¹,

Lazneva²,

Akhremtchik³

et al. 2015

Organic Photonics and Photovoltaics

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The effects of hydroxyl groups on Ca adsorption on rutile surfaces: a first-principles study

Zhang

Leng

et al. 2009

J Mater Sci: Mater Med

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Hydroxyl groups on titanium surfaces have been believed to play an important role in absorbing Ca in solution, which is crucial in the formation of bioactive calcium phosphates both in vitro and in vivo. CASTEP, a first-principles density functional theory (DFT) code, was employed to investigate Ca adsorption on various rutile (110) surfaces in order to clarify how hydroxyl groups effect Ca adsorption. The surfaces modeled in the present study include a bare rutile (110) surface, a hydroxylated rutile (110) surface, an oxidized rutile (110) surface, and a rutile (110) surface bonded with mixed OH groups and water. The results reveal that not all OH groups favors to attract Ca adsorption and loosely bonded OH and water on a rutile surface actually combine with Ca during adsorption. An oxidized rutile surface has the highest ability to attract Ca atoms, which partially explains that alkali-treated Ti surfaces could induce hydroxyapatite formation in alkaline environments.

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Surface modification of M-Ba-ferrite powders by polyaniline: Towards improving microwave electromagnetic response

Tang

Yang

2009

Applied Surface Science

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

Cited by 26 publications

References 36 publications

Low-energy electron transmission for the analysis of the interface barrier formation and the density of the unoccupied electronic states in the ultra-thin layers of fluorinated copper-phthalocyanine

Low-energy electron transmission for the analysis of the interface barrier formation and the density of the unoccupied electronic states in the ultra-thin layers of fluorinated copper-phthalocyanine

The effects of hydroxyl groups on Ca adsorption on rutile surfaces: a first-principles study

Surface modification of M-Ba-ferrite powders by polyaniline: Towards improving microwave electromagnetic response

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