Single-photon ionization of higher fullerenes C76, C78 and C84. Determination of ionization potentials

Steger, H.; Holzäpfel, J.; Hielscher, Andreas H.; Kamke, W.; Hertel, I. V.

doi:10.1016/0009-2614(95)00034-2

Cited by 69 publications

(36 citation statements)

References 14 publications

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“…3). P þ B (C 60 ) can be determined to be 1.09 eV using the ionization energies of 6.50 eV at t ¼ 16 nm in Figure 3b and 7.59 eV in gas phase, [38] which gives P þ I (C 60 ) to be 0.79 eV. Therefore we obtain the following expression using P þ B (C 60 ) > P þ I (C 60 )…”

Section: Blendsmentioning

confidence: 99%

Impact of Ground‐State Charge Transfer and Polarization Energy Change on Energy Band Offsets at Donor/Acceptor Interface in Organic Photovoltaics

Akaike

Kanai

Ouchi

et al. 2010

Adv Funct Materials

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The fullerene (C60)/copper phthalocyanine (CuPc) interface is one of the widely used donor/acceptor (DA) interfaces for organic photovoltaics (OPVs), and information on the electronic structure at the interface is essential for fully understanding the energetics of excitons and carriers in OPVs. Here, an investigation into the energy levels at the C60/CuPc interface is made using UV photoelectron, X‐ray photoelectron, and inverse photoemission spectroscopies. The vacuum level and core levels rise with C60 deposition on the CuPc film, which indicates that the interfacial dipole is formed with the negative charge on the C60 side. The interfacial dipole can be formed by the electron transfer from CuPc to C60 in the ground state at the interface, which is indicated by the analysis of the UV–vis–NIR absorption spectrum of the CuPc/C60 blended film. On the other hand, the highest occupied and lowest unoccupied molecular orbitals of CuPc and C60 shift in opposite directions at the interface. This is attributed to the changes of the polarization energies of CuPc and C60 at the interface. The formation of the interfacial dipole and the change of the polarization energy result in the anomalous energy band offsets at the C60/CuPc interface, which are entirely different from those in inorganic p–n junctions.

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Section: Blendsmentioning

confidence: 99%

Impact of Ground‐State Charge Transfer and Polarization Energy Change on Energy Band Offsets at Donor/Acceptor Interface in Organic Photovoltaics

Akaike

Kanai

Ouchi

et al. 2010

Adv Funct Materials

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“…while Steger et al [2] measured I 76 = 7.10 eV. Calculating C 76 with the former value leads to a radius-capacitance point (black square) that lies o↵ the capacitance scaling line defined by points for the other C 2 species and D 2 species.…”

Section: Methods and Resultsmentioning

confidence: 95%

“…Because they are large molecules, though, containing many atoms and electrons, detailed, accurate quantum theoretical treatments are di cult and computationally intensive. Measurements of the electronic properties of the isolated molecules are similarly challenging [2][3][4]. On the other hand, the regular, quasispherical structures of these pure carbon systems [5], along with results from quantum scaling investigations on other systems [6][7][8][9], suggest that the fullerenes' quantum properties might vary or "scale" with their dimensions in very regular ways.…”

Section: Introductionmentioning

confidence: 99%

“…We calculated I n , A n , and r n for nine such molecules containing numbers of C atoms ranging from n = 60 to 2160. Also, for ten nonicosahedral fullerenes of C 2 and D 2 symmetries, we tabulated from the literature experimental values [2][3][4] of I n and A n , as well as theoretical values [14,15] of r n . All these data, plus the associated values of C n , appear in Table I and are used to plot the graphs in Figs.…”

Section: Introductionmentioning

confidence: 99%

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Smooth Scaling of Valence Electronic Properties in Fullerenes: From One Carbon Atom, to C60, to Graphene

Lewis¹,

Bunting²,

Zope³

et al. 2012

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Scaling of quantum capacitances and valence electron detachment energies is studied for icosahedral and nonicosahedral fullerenes. Scaling trends are considered from zero to infinite average radius, where a fullerene's local surface properties are similar to those of graphene. Detailed density functional theory calculations are performed to determine the geometries and detachment energies of icosahedral fullerenes, while values of these quantities are obtained for nonicosahedral species from previously published experimental results. Strongly linear, quasiclassical scaling versus average radii rn is seen for the quantum capacitances, but on two di↵erent scaling lines for icosahedral and nonicosahedral species, respectively. By contrast, nonclassical, nonlinear scaling versus 1/rn is seen for the electron detachment energies-i.e., the valence ionization potentials and electron a nities. This nonlinearity is not accounted for by classical theories that are used to explain trends in electronic properties of fullerenes and usually give accurate quantitative estimates. Instead, simple quantum equations are derived to account for nonlinearities in the metal-particle-like electron detachment energy scaling and to show that these are responsible for nonclassical, nonzero intercepts in the capacitance scaling lines of the fullerenes. Lastly, it is found that points representing the carbon atom and the graphene limit lie on scaling lines for icosahedral fullerenes, so their quantum capacitances and their detachment energies scale smoothly from one C atom, through C 60, to graphene.

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“…As a function of the number of C atoms in the molecule, the points fall on a smooth curve, gently decreasing toward 7 eV, with clear superimposed discontinuous deviations of a few percent [28,29].…”

Section: Physical Properties Of Hollow Quasispherical Molecules mentioning

confidence: 99%

Electrons on a spherical surface: Physical properties and hollow spherical clusters

2012

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We discuss the physical properties of a noninteracting electron gas constrained to a spherical surface. In particular we consider its chemical potentials, its ionization potential, and its electric static polarizability. All these properties are discussed analytically as functions of the number N of electrons. The trends obtained with increasing N are compared with those of the corresponding properties experimentally measured or theoretically evaluated for quasispherical hollow atomic and molecular clusters. Most of the properties investigated display similar trends, characterized by a prominence of shell effects. This leads to the definition of a scale-invariant distribution of magic numbers which follows a power law with critical exponent −0.5. We conclude that our completely mechanistic and analytically tractable model can be useful for the analysis of self-assembling complex systems.

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Single-photon ionization of higher fullerenes C76, C78 and C84. Determination of ionization potentials

Cited by 69 publications

References 14 publications

Impact of Ground‐State Charge Transfer and Polarization Energy Change on Energy Band Offsets at Donor/Acceptor Interface in Organic Photovoltaics

Impact of Ground‐State Charge Transfer and Polarization Energy Change on Energy Band Offsets at Donor/Acceptor Interface in Organic Photovoltaics

Smooth Scaling of Valence Electronic Properties in Fullerenes: From One Carbon Atom, to C60, to Graphene

Electrons on a spherical surface: Physical properties and hollow spherical clusters

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