Influence of film thickness and air exposure on the transport gap of manganese phthalocyanine

Haidu, Francisc; Fechner, Axel; Salvan, Georgeta; Gordan, Ovidiu D.; Fronk, Michael; Lehmann, Daniel; Mahns, Benjamin; Knupfer, M.; Zahn, Dietrich R. T.

doi:10.1063/1.4812230

Cited by 25 publications

(13 citation statements)

References 40 publications

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“…Moreover, MnPc deposited on Co foil shows a small band gap opening of 0.35 eV. 25 Finally, theoretical calculations of benzene physisorbed on graphite (0001) predict as well a strong renormalization of the electronic gap. 24 In Fig.…”

Section: Resultsmentioning

confidence: 99%

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Transport band gap opening at metal–organic interfaces

Haidu

Salvan

Zahn

et al. 2014

Journal of Vacuum Science &Amp; Technology A: Vacuum, Surfaces, and Films

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The interface formation between copper phthalocyanine (CuPc) and two representative metal substrates, i.e., Au and Co, was investigated by the combination of ultraviolet photoelectron spectroscopy and inverse photoelectron spectroscopy. The occupied and unoccupied molecular orbitals and thus the transport band gap of CuPc are highly influenced by film thickness, i.e., molecule substrate distance. Due to the image charge potential given by the metallic substrates the transport band gap of CuPc "opens" from (1.4 ± 0.3) eV for 1 nm thickness to (2.2 ± 0.3) eV, and saturates at this value above 10 nm CuPc thickness. The interface dipoles with values of 1.2 eV and 1.0 eV for Au and Co substrates, respectively, predominantly depend on the metal substrate work functions. X-ray photoelectron spectroscopy measurements using synchrotron radiation provide detailed information on the interaction between CuPc and the two metal substrates. While charge transfer from the Au or Co substrate to the Cu metal center is present only at sub-monolayer coverages, the authors observe a net charge transfer from the molecule to the Co substrate for films in the nm range. Consequently, the Fermi level is shifted as in the case of a p-type doping of the molecule. This is, however, a competing phenomenon to the energy band shifts due to the image charge potential.

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Section: Resultsmentioning

confidence: 99%

“…The nominal thicknesses of the investigated CuPc films ranged from 0.5 nm to 22 nm. Films thicker than 20 nm yield no extra information for the thickness dependence study 12,25 and within this thickness range also no charging effects were found.…”

Section: Methodsmentioning

confidence: 96%

Transport band gap opening at metal–organic interfaces

Haidu

Salvan

Zahn

et al. 2014

Journal of Vacuum Science &Amp; Technology A: Vacuum, Surfaces, and Films

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“…In essence, the electronic properties (partly) reflect the behavior of these 3d electrons, and MnPc plays a special role in the group of the transition-metal phthalocyanines. The energy gap between the occupied and unoccupied molecular orbitals of MnPc is the smallest among all transition-metal phthalocyanines [ 17 – 21 ], its ionization potential also is the smallest within this class of material [ 17 – 18 22 ], while the electron affinity is larger than those of the others [ 17 – 18 ]. Furthermore, the exciton binding energy related to the lowest electronic singlet excitation is somewhat larger compared to, e.g., CuPc [ 18 – 20 23 ].…”

Section: Reviewmentioning

confidence: 99%

Charge transfer from and to manganese phthalocyanine: bulk materials and interfaces

Rückerl¹,

Waas²,

Büchner³

et al. 2017

Beilstein J. Nanotechnol.

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Manganese phthalocyanine (MnPc) is a member of the family of transition-metal phthalocyanines, which combines interesting electronic behavior in the fields of organic and molecular electronics with local magnetic moments. MnPc is characterized by hybrid states between the Mn 3d orbitals and the π orbitals of the ligand very close to the Fermi level. This causes particular physical properties, different from those of the other phthalocyanines, such as a rather small ionization potential, a small band gap and a large electron affinity. These can be exploited to prepare particular compounds and interfaces with appropriate partners, which are characterized by a charge transfer from or to MnPc. We summarize recent spectroscopic and theoretical results that have been achieved in this regard.

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“…For MnPc, hybridized states between the Mn 3d and the ligand

π

orbitals give rise to physical properties different from the other phthalocyanines. For instance, MnPc shows by a small ionization potential of 4.5 eV, a large electron affinity and a small band gap . MnPc also behaves differently as compared to other transition metal phthalocyanines in view of charge transfer at interfaces or in bulk systems .…”

Section: Introductionmentioning

confidence: 99%

Charge Transfer at the Interface Between MnPc and F₆TCNNQ

Waas

Rückerl

Knupfer

2018

Physica Status Solidi (b)

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Photoelectron spectroscopy in the core level as well as the valence band region has been used to determine the electronic properties of interfaces between manganese phthalocyanine (MnPc) and the strong electron acceptor F 6 TCNNQ. It is shown that charge transfer occurs at this interface which results in the oxidation (reduction) of MnPc (F 6 TCNNQ) at the interface. Our data indicate a full electron transfer with no evidence for hybrid states. The valence band data suggest that the interface remains insulating/semiconducting despite the charge transfer, which indicates localized charges.

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Influence of film thickness and air exposure on the transport gap of manganese phthalocyanine

Abstract: A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements

Cited by 25 publications

References 40 publications

Transport band gap opening at metal–organic interfaces

Transport band gap opening at metal–organic interfaces

Charge transfer from and to manganese phthalocyanine: bulk materials and interfaces

Charge Transfer at the Interface Between MnPc and F₆TCNNQ

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Influence of film thickness and air exposure on the transport gap of manganese phthalocyanine

Abstract: A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements

Cited by 25 publications

References 40 publications

Transport band gap opening at metal–organic interfaces

Transport band gap opening at metal–organic interfaces

Charge transfer from and to manganese phthalocyanine: bulk materials and interfaces

Charge Transfer at the Interface Between MnPc and F6TCNNQ

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Product

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Charge Transfer at the Interface Between MnPc and F₆TCNNQ