The charge state of C<sub>60</sub>(buckminsterfullerene) molecules adsorbed on a metal surface: theoretical considerations

Burstein, E.; Erwin, S. C.; Ming, Jun; Messmer, R. P.

doi:10.1088/0031-8949/1992/t42/033

Cited by 24 publications

(23 citation statements)

References 36 publications

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“…It is also interesting that even relatively inert metals such as gold are thought to transfer ∼ 1 electron to the C 60 . Also note that the tabulated CT values appear to support Burstein's calculation of a maximum CT of 2 e/C 60 [15].…”

Section: Charge Transfersupporting

confidence: 76%

“…The T 1u LUMO of C 60 can accept up to six electrons, but there is no reason to believe, a priori, that such a large CT should be sustainable on a metallic surface. In fact, a calculation by Burstein et al [15] suggests that a maximum CT of two electrons to each C 60 is to be expected, regardless of the work function of the metal.…”

Section: Charge Transfermentioning

confidence: 99%

“…The problem of charge transfer from metals to C 60 molecules adsorbed on their surfaces has been addressed by several authors using both experimental [16,17,18,19] and theoretical approaches [15,20,21]. A (non-exhaustive) summary of their results is given in Table 1, which also lists the work functions of the substrates involved.…”

Section: Charge Transfermentioning

confidence: 99%

“…If the effect of adsorption is to split the triply degenerate T 1u level into a singlet A and doublet E, then we can write the effect of the surface interaction Hamiltonian H S as (15) so that the magnitude of the surface splitting is |∆ S | = 3 2 |δ|. We also allow δ to be positive or negative to give the required splitting order.…”

Section: The Lumo-surface Interactionmentioning

confidence: 99%

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Jahn–Teller Effects in Molecules on Surfaces with Specific Application to C60

Hands

Dunn

Rawlinson

et al. 2009

Springer Series in Chemical Physics

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A note on versions:The version presented here may differ from the published version or from the version of record. If you wish to cite this item you are advised to consult the publisher's version. Please see the repository url above for details on accessing the published version and note that access may require a subscription. Abstract Scanning tunnelling microscopy (STM) is capable of imaging molecules adsorbed onto surfaces with sufficient resolution as to permit intramolecular features to be discerned. Therefore, imaging molecules subject to the Jahn-Teller (JT) effect could, in principle, yield valuable information about the vibronic coupling responsible for the JT effect. However, such an application is not without its complications. For example, the JT effect causes subtle, dynamic distortions of the molecule; but how will this dynamic picture be affected by the host surface? And what will actually be imaged by the rather slow STM technique? Our aim here is to present a systematic investigation of the complications inherent in JT-related STM studies, to seek out possible JT signatures in such images and to guide further imaging towards identification and quantification of JT effects in molecules on surfaces. In particular, we consider the case of surface-adsorbed C 60 ions because of their propensity to exhibit JT effects, their STM-friendly size and because a better understanding of the vibronic effects within these ions may be important for realisation of their potential application as superconductors.

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Section: Charge Transfersupporting

confidence: 76%

Section: Charge Transfermentioning

confidence: 99%

Section: Charge Transfermentioning

confidence: 99%

Section: The Lumo-surface Interactionmentioning

confidence: 99%

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Jahn–Teller Effects in Molecules on Surfaces with Specific Application to C60

Hands

Dunn

Rawlinson

et al. 2009

Springer Series in Chemical Physics

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“…The stabilization of the C 60 -ion by this polarization effect increases the electron affinity to approximately 4 eV, a value close to the workfunction of common metals. If we take into account that the width of the lowest unoccupied molecular orbital (LUMO) of C 60 is approximately 1 eV and assume vacuum level alignment for the moment, we can anticipate that the lowest unoccupied molecular orbital of C 60 on metals with a workfunction of around 4.5 eV or lower may be partially filled [11]. This is indeed observed for C 60 deposited on Ag [12].…”

Section: Introductionmentioning

confidence: 84%

On interface dipole layers between C 60 and Ag or Au

Veenstra

Heeres

Hadziioannou

et al. 2002

Applied Physics A: Materials Science & Processing

105

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C 60 layers on polycrystalline Ag and Au are studied by photoelectron spectroscopy. At these metal/C 60 interfaces an electron transfer occurs from the metal to the lowest unoccupied orbital of C 60 . We found in the case of the polycrystalline Ag/C 60 interface a dipolar layer with its associated electric field in the direction corresponding to the charge transfer, so pointing from the substrate to the adsorbent. Yet, at the Au/C 60 interface we observed an overall electric field pointing from C 60 towards the metal. We discuss our observations in terms of charge transfer, screening and hybridization effects and propose the occurrence of a hybridization mechanism similar to back-bonding at the Au/C 60 interface. We show that the alignment of energy levels at the metal/C 60 interface cannot simply be deduced using the metal workfunction and the frontier orbitals of C 60 , including screening effects, since hybridization effects may strongly alter the interfacial energy level structure. Our experimental findings on the polycrystalline metal/C 60 interfaces indicate an at-most weak dependence of the Fermi level of the C 60 overlayer on the workfunction of the polycrystalline metal substrate. These interfaces are found in donoracceptor-based organic photovoltaic devices and our results may help to understand the electrical characteristics of these devices.

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Energy‐level alignment at metal–organic and organic–organic interfaces

Veenstra

Jonkman

2003

J Polym Sci B Polym Phys

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This article reports on the electronic structure at interfaces found in organic semiconductor devices. The studied organic materials are C60 and poly (para‐phenylenevinylene) (PPV)‐like oligomers, and the metals are polycrystalline Au and Ag. To measure the energy levels at these interfaces, ultraviolet photoelectron spectroscopy has been used. It is shown how the energy levels at interfaces deviate from the bulk. Furthermore, it is demonstrated that the vacuum levels do not align at the studied interfaces. The misalignment is caused by an electric field at the interface. Several effects are presented that influence the energy alignment at interfaces, such as screening effects, dipole layer formation, charge transfer, and chemical interaction. The combination of interfaces investigated here is similar to interfaces found in polymer light‐emitting diodes and organic bulk heterojunction photovoltaic devices. The result, the misalignment of the vacuum levels, is expected to influence charge‐transfer processes across these interfaces, possibly affecting the electrical characteristics of organic semiconductor devices that contain similar interfaces. © 2003 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 41: 2549–2560, 2003

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The charge state of C₆₀(buckminsterfullerene) molecules adsorbed on a metal surface: theoretical considerations

Cited by 24 publications

References 36 publications

Jahn–Teller Effects in Molecules on Surfaces with Specific Application to C60

Jahn–Teller Effects in Molecules on Surfaces with Specific Application to C60

On interface dipole layers between C 60 and Ag or Au

Energy‐level alignment at metal–organic and organic–organic interfaces

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The charge state of C60(buckminsterfullerene) molecules adsorbed on a metal surface: theoretical considerations

Cited by 24 publications

References 36 publications

Jahn–Teller Effects in Molecules on Surfaces with Specific Application to C60

Jahn–Teller Effects in Molecules on Surfaces with Specific Application to C60

On interface dipole layers between C 60 and Ag or Au

Energy‐level alignment at metal–organic and organic–organic interfaces

Contact Info

Product

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The charge state of C₆₀(buckminsterfullerene) molecules adsorbed on a metal surface: theoretical considerations