Optical properties of functionalized graphene

Berghäuser, Gunnar; Malić, Ermin

doi:10.1002/pssb.201300181

Cited by 7 publications

(6 citation statements)

References 18 publications

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“… 9 At the same time, the interaction with the attached molecules induces additional properties desired for specific technological applications. 10 − 18 …”

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confidence: 99%

“…In particular, carbon nanostructures are excellent substrates, since they offer a variety of metallic and semiconducting systems showing a large sensitivity to changes in their surrounding. − Noncovalent functionalization based on π–π stacking preserves the intrinsic properties of the substrate to a large extent . At the same time, the interaction with the attached molecules induces additional properties desired for specific technological applications. − …”

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confidence: 99%

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Förster-Induced Energy Transfer in Functionalized Graphene

et al. 2014

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Carbon nanostructures are ideal substrates for functionalization with molecules since they consist of a single atomic layer giving rise to an extraordinary sensitivity to changes in their surrounding. The functionalization opens a new research field of hybrid nanostructures with tailored properties. Here, we present a microscopic view on the substrate–molecule interaction in the exemplary hybrid material consisting of graphene functionalized with perylene molecules. First experiments on similar systems have been recently realized illustrating an extremely efficient transfer of excitation energy from adsorbed molecules to the carbon substrate, a process with a large application potential for high-efficiency photovoltaic devices and biomedical imaging and sensing. So far, there has been no microscopically founded explanation for the observed energy transfer. Based on first-principle calculations, we have explicitly investigated the different transfer mechanisms revealing the crucial importance of Förster coupling. Due to the efficient Coulomb interaction in graphene, we obtain strong Förster rates in the range of 1/fs. We investigate its dependence on the substrate–molecule distance R and describe the impact of the momentum transfer q for an efficient energy transfer. Furthermore, we find that the Dexter transfer mechanism is negligibly small due to the vanishing overlap between the involved strongly localized orbital functions. The gained insights are applicable to a variety of carbon-based hybrid nanostructures.

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“… 9 At the same time, the interaction with the attached molecules induces additional properties desired for specific technological applications. 10 − 18 …”

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confidence: 99%

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confidence: 99%

Förster-Induced Energy Transfer in Functionalized Graphene

et al. 2014

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“…Applying nearest-neighbor tight-binding wave functions and exploiting the periodic molecular lattice on the surface of the carbon nanomaterial, we obtain for the carrier-molecule coupling element in the case of one-dimensional carbon nanoribbons (lying in x direction) [18,43] …”

Section: Functionalized Graphenementioning

confidence: 99%

Optical Response From Functionalized Atomically Thin Nanomaterials

et al. 2017

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Chemical functionalization of atomically thin nanostructures presents a promising strategy to create new hybrid nanomaterials with remarkable and externally controllable properties. Here, we review our research in the field of theoretical modeling of carbon nanotubes, graphene, and transition metal dichalcogenides located in molecular dipole fields. In particular, we provide a microscopic view on the change of the optical response of these technologically promising nanomaterials due to the presence of photo-active spiropyran molecules. The feature article presents a review of recent theoretical work providing microscopic view on the optical response of chemically functionalized carbon nanotubes, graphene, and monolayered transition metal dichalcogenides. In particular, we propose a novel sensor mechanism based on the molecule-induced activation of dark excitons. This results in a pronounced additional peak presenting an unambiguous optical fingerprint for the attached molecules.The adsorption of molecules to the surface of atomically thin nanostructures opens a new field of hybrid materials with externally tunable properties. Consisting of a single layer of atoms, these materials show an optimal surface-to-volume ratio resulting in extremely high sensitivity to changes in their surrounding. In particular, their optical properties directly reflect the presence of externally attached molecules. As a result, the optical response can be exploited for engineering novel chemical sensors molecular switches, and nanoscale photodetectors. [5,9,16,[23][24][25] Promising candidates for the functionalization of nanomaterials are photoactive molecules. The most prominent representative of this class of molecules are spiropyrans, which can be reversibly switched between the open planar merocyanine (MC) and the closed orthogonal spiropyran (SP) conformation. The corresponding ring-opening/ring-closing process is driven by visible and ultraviolet light, respectively, [26] cf. control the coupling between the molecule and the excitons in the nanomaterial. The key for designing and engineering devices based on functionalized nanomaterials is a microscopic understanding of the interaction between the adsorbed molecule and the nanomaterial. In this feature article, we present a review of our work on microscopic modeling of the optical response from carbon nanotubes, graphene, and monolayer transition metal dichalcogenides located in molecular dipole fields. Theoretical ApproachWe focus on modeling of the optical response of 1D or 2D atomically thin nanomaterials that are non-covalently functionalized with photoactive spiropyran molecules exhibiting a large dipole moment. Non-covalent functionalization via Van der Waals interaction is known to have a minor influence on electronic properties of the functionalized nanomaterial, thus it is a good approximation to assume an unchanged electronic band structure and wave functions.[4] As a result, the situation we model corresponds to a pristine nanomaterial that is located in a static di...

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“…Functionalization of carbon nanostructures, such as graphene and carbon nanotubes, is a rapidly developing research field . The goal is the design of tailored hybrid nanostructures characterized by remarkable properties of the carbon substrate combined with the strong light absorption of adsorbed molecules ().…”

Section: Introductionmentioning

confidence: 99%

Energy‐transfer in porphyrin‐ functionalized graphene

Malić

Appel

Hofmann

et al. 2014

Physica Status Solidi (b)

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We present a theoretical study on the molecule-substrate interaction within the porphyrin-functionalized graphene. Recent experiments on porphyrin-functionalized carbon nanotubes have revealed an extremely efficient energy transfer from the adsorbed molecules to the carbon substrate. To investigate the energy transfer mechanism, we have characterized the hybrid structure within the density functional theory including the calculation of the molecular transition dipole moment, which allows us to determine the Förster coupling rate. We find a strongly pronounced Förster-induced energy transfer in the range of fs −1 confirming the experimental observations.Side view on the graphene layer non-covalently functionalized with a porphyrin molecule.

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Optical properties of functionalized graphene

Cited by 7 publications

References 18 publications

Förster-Induced Energy Transfer in Functionalized Graphene

Förster-Induced Energy Transfer in Functionalized Graphene

Optical Response From Functionalized Atomically Thin Nanomaterials

Energy‐transfer in porphyrin‐ functionalized graphene

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