Influence of electrostatic fields on molecular electronic structure: insights for interfacial charge transfer

Monti, Oliver L. A.; Steele, Mary P.

doi:10.1039/c0cp01039a

Cited by 30 publications

(32 citation statements)

References 85 publications

(95 reference statements)

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“…A detailed understanding of such metal/organic interfaces is still missing, despite its importance in a number of novel technologies such as organic photovoltaic cells, thermoelectrics or field-effect transistors [57][58][59][60][61]. The data presented here offer an avenue to study factors that may be important in charge-transfer events in reduced dimensionality such as those found e.g.…”

Section: Discussionmentioning

confidence: 85%

Electronic structure and dynamics of quasi-2D states of vanadyl naphthalocyanine on Au(111)^†

2013

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We investigate the evolution of the interfacial electronic structure and dynamics of thin films of the organic semiconductor vanadyl naphthalocyanine on Au(111). Using angle-resolved two-photon photoemission, a comprehensive coverage-and excitation-energy-dependent characterisation of the electronic structure and the resulting dynamics of short-lived image potential resonances (IPRs) on Au(111) are presented. The study of these quasi-two-dimensional (quasi-2D) bands is enabled by molecular adsorption and reveals a significant lengthening of their lifetimes. The resonances remain, however, significantly coupled to the continuum of bulk bands of Au(111) even in the presence of the organic adsorbate, giving rise to Fano-like quantum interference and 'intensity switching' effects. Coupling to the continuum is also responsible for providing excitation pathways to the image potential manifold above and below optical resonance with the Shockley surface state. The organic semiconductor interface and quasi-2D bands investigated here provide a model for understanding the role of quantum effects in ultrafast dynamics of confined systems and at interfaces such as those that are relevant e.g. for interfacial charge-transfer processes in organic electronics.

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Section: Discussionmentioning

confidence: 85%

Electronic structure and dynamics of quasi-2D states of vanadyl naphthalocyanine on Au(111)^†

2013

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“…The work function, measured at the secondary electron cut-off in photoelectron spectroscopy as a global work function [20], exhibits the balance between various forces that increase or decrease the vacuum level of a system upon molecular adsorption [5,21,22]. Molecular dipole moment [23,24], electron transfer from surface to molecule and chemisorption [25,26] as well as push-back effects [27] can all contribute to the work function change upon film growth.…”

Section: Evolution Of the Work Functionmentioning

confidence: 99%

Interplay of local and global interfacial electronic structure of a strongly coupled dipolar organic semiconductor

Ilyas

Monti

2014

Phys. Rev. B

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We investigate the consequences of strong electronic coupling at the organic semiconductor / metal interface in both the ground and excited state manifold for the case of chloro-boron subphthalocyanine on Cu(111). Using a combination of low-temperature scanning tunneling microscopy, ultraviolet and angle-resolved two-photon photoemission spectroscopy, we are able to connect local electronic interactions at the interface with thin film structure despite complex growth in the sub-monolayer regime. We show that strong coupling leads to charge-transfer from the surface to the molecule and are able to correlate this observation with the specific molecular adsorption geometry. Strong coupling further results in molecular excited state anion resonances and is responsible for autoionization of highly excited image potential states, reporting on the heterogeneous electronic environment in these thin films. This study provides a step towards disentangling interfacial electronic interactions at complex organic / metal interfaces.3

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“…Specifically, the organic / metal interface has been the subject of intense study: Exchange correlation effects, chemisorption vs. physisorption, local electric fields and gap states, among others, are considered to be key factors in establishing energy-level alignment and ultimately carrier dynamics. [1][2][3][4][5][6] In contrast, interfaces between organic semiconductors and transparent conductive oxides (TCOs) have received less attention.…”

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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Influence of electrostatic fields on molecular electronic structure: insights for interfacial charge transfer

Cited by 30 publications

References 85 publications

Electronic structure and dynamics of quasi-2D states of vanadyl naphthalocyanine on Au(111)^†

Electronic structure and dynamics of quasi-2D states of vanadyl naphthalocyanine on Au(111)^†

Interplay of local and global interfacial electronic structure of a strongly coupled dipolar organic semiconductor

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

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Influence of electrostatic fields on molecular electronic structure: insights for interfacial charge transfer

Cited by 30 publications

References 85 publications

Electronic structure and dynamics of quasi-2D states of vanadyl naphthalocyanine on Au(111)†

Electronic structure and dynamics of quasi-2D states of vanadyl naphthalocyanine on Au(111)†

Interplay of local and global interfacial electronic structure of a strongly coupled dipolar organic semiconductor

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

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Product

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Electronic structure and dynamics of quasi-2D states of vanadyl naphthalocyanine on Au(111)^†

Electronic structure and dynamics of quasi-2D states of vanadyl naphthalocyanine on Au(111)^†