Optical Properties Of Graphene Nanoribbons Research Articles

The electronic and optical properties of graphene nanoribbons under the influence of the periodic strain

The electronic and optical properties of graphene nanoribbons under the influence of the periodic strain

Electronic Structure of Isolated Graphene Nanoribbons in Solution Revealed by Two-Dimensional Electronic Spectroscopy.

Structurally well-defined graphene nanoribbons (GNRs) are nanostructures with unique optoelectronic properties. In the liquid phase, strong aggregation typically hampers the assessment of their intrinsic properties. Recently we reported a novel type of GNRs, decorated with aliphatic side chains, yielding dispersions consisting mostly of isolated GNRs. Here we employ two-dimensional electronic spectroscopy to unravel the optical properties of isolated GNRs and disentangle the transitions underlying their broad and rather featureless absorption band. We observe that vibronic coupling, typically neglected in modeling, plays a dominant role in the optical properties of GNRs. Moreover, a strong environmental effect is revealed by a large inhomogeneous broadening of the electronic transitions. Finally, we also show that the photoexcited bright state decays, on the 150 fs time scale, to a dark state which is in thermal equilibrium with the bright state, that remains responsible for the emission on nanosecond time scales.

First-principles calculations of the optical response of single-layer and bilayer armchair graphene nanoribbons

Electronic and optical properties of single-layer and bilayer armchair graphene nanoribbons are investigated using a first-principles method. Increased nanoribbon width reduces the band gap and causes a red shift in photon absorption energy. The 3n + 2 family of nanoribbons has the smallest band gaps and lowest onset photon absorption energy among the three families considered due to high π-conjugation indicated by exciton wavefunctions. We also compare the bilayer α and β alignments of armchair graphene nanoribbons with their single-layer counterparts. The extra layer of graphene reduces the band gap and onset photon absorption energy, and the difference between the α alignment and the single-layer configuration is more significant than that of the β alignment and the single layer. Our calculations indicate that the optical properties of graphene nanoribbons depend on the details of atomic structures, including nanoribbon width, edge alignment and number of layers. These characteristics are expected to be important in the design of optoelectronic devices.

How size, edge shape, functional groups and embeddedness influence the electronic structure and partial optical properties of graphene nanoribbons.

The armchair and zigzag edge shape makes graphene nanoribbons (GNRs) exhibit interest in different applications. However, the relationship between influencing factors and properties is not clear. Herein, the many-body Green's function theory and the TDDFT method are used to investigate the effect of size, edge shape and functional groups on the electronic and optical properties of GNRs and h-BN-embedded GNRs. We find that ZGNRs have a smaller band gap and absorption edge than AGNRs having the same size and functional groups. The relationship between S1 and T1 is mainly determined by the size and edge shape of GNRs, while the redox ability of water splitting mainly relies on the kind of the functional group. When h-BN is embedded in GNRs, the edge shape of GNRs and the contact part between two substances control the direction of electron transfer in both the ground state and the excited state. These results can provide theoretical support for further improvements and applications of GNRs.

(Invited) Optical Properties of Graphene Nanoribbons and Quantum Dots

Graphene is a key material for nanoelectronics. Nevertheless, its zero gap makes it unsuitable for applications needing semiconductors with sizeable energy gaps. One way to open a gap in graphene is to use size reduction effects. The reduction of one dimension leads to carbon nanotubes and graphene nanoribbons that are 1D carbon nanostructures. Reducing one more dimension leads to 0D graphene quantum dots. The optical properties of carbon nanotubes have been investigated for approximately 20 years, while the study of graphene quantum dots and nanoribbons is at its infancy.Among potential application of these sp2 carbon nanostructures, the use of graphene nanoribbons and quantum dots as light emitters attracts a lot of attention. Here, I will present our recent results on the optical properties of graphene quantum dots synthesized by bottom-up chemistry [1].

Erratum to: Termini effects on the optical properties of graphene nanoribbons

Figure 3 was not correct in the published article. This erratum provides the correct Figure 3:

Termini effects on the optical properties of graphene nanoribbons

We investigate from first principles the optical response of finite-length armchair-edged graphene nanoribbons (AGNRs) within the framework of many-body perturbation theory. As a result of the explicit inclusion of zigzag extremities, we identify low-energy and low-intensity excitations that are expected to be almost independent of the GNR length. These excitations coexist with bulk-like excitations, which have the same origin as the ones characterizing infinite AGNRs. Our results are used to rationalize termini effects on the optical response of GNRs and to shed light on recent photoluminescence data.

Optical selection rules of zigzag graphene nanoribbons

We present an analytical tight-binding theory of the optical properties of graphene nanoribbons with zigzag edges. Applying the transfer matrix technique to the nearest-neighbor tight-binding Hamiltonian, we derive analytical expressions for electron wave functions and optical transition matrix elements for incident light polarized along the structure axis. It follows from the obtained results that optical selection rules result from the wave function parity factor ${(\ensuremath{-}1)}^{J}$, where $J$ is the band number. These selection rules are that $\mathrm{\ensuremath{\Delta}}J$ is odd for transitions between valence and conduction subbands and that $\mathrm{\ensuremath{\Delta}}J$ is even for transitions between only valence (conduction) subbands. Although these selection rules are different from those in armchair carbon nanotubes, there is a hidden correlation between absorption spectra of the two structures that should allow one to use them interchangeably in some applications. The correlation originates from the fact that van Hove singularities in the tubes are centered between those in the ribbons if the ribbon width is about a half of the tubes circumference. The analysis of the matrix elements dependence on the electron wave vector for narrow ribbons shows a smooth nonsingular behavior at the Dirac points and the points where the bulk states meet the edge states.

Electronic and optical properties of graphene nanoribbons in external fields.

A review work is done for the electronic and optical properties of graphene nanoribbons in magnetic, electric, composite, and modulated fields. Effects due to the lateral confinement, curvature, stacking, non-uniform subsystems and hybrid structures are taken into account. The special electronic properties, induced by complex competitions between external fields and geometric structures, include many one-dimensional parabolic subbands, standing waves, peculiar edge-localized states, width- and field-dependent energy gaps, magnetic-quantized quasi-Landau levels, curvature-induced oscillating Landau subbands, crossings and anti-crossings of quasi-Landau levels, coexistence and combination of energy spectra in layered structures, and various peak structures in the density of states. There exist diverse absorption spectra and different selection rules, covering edge-dependent selection rules, magneto-optical selection rule, splitting of the Landau absorption peaks, intragroup and intergroup Landau transitions, as well as coexistence of monolayer-like and bilayer-like Landau absorption spectra. Detailed comparisons are made between the theoretical calculations and experimental measurements. The predicted results, the parabolic subbands, edge-localized states, gap opening and modulation, and spatial distribution of Landau subbands, have been identified by various experimental measurements.

Optical Properties of Graphene Nanoribbons Encapsulated in Single-Walled Carbon Nanotubes

We report the photoluminescence (PL) from graphene nanoribbons (GNRs) encapsulated in single-walled carbon nanotubes (SWCNTs). New PL spectral features originating from GNRs have been detected in the visible spectral range. PL peaks from GNRs have resonant character, and their positions depend on the ribbon geometrical structure in accordance with the theoretical predictions. GNRs were synthesized using confined polymerization and fusion of coronene molecules. GNR@SWCNTs material demonstrates a bright photoluminescence both in infrared (IR) and visible regions. The photoluminescence excitation mapping in the near-IR spectral range has revealed the geometry-dependent shifts of the SWCNT peaks (up to 11 meV in excitation and emission) after the process of polymerization of coronene molecules inside the nanotubes. This behavior has been attributed to the strain of SWCNTs induced by insertion of the coronene molecules.

Optical Absorption of Graphene Nanoribbon in Transverse and Modulated Longitudinal Electric Field

In this paper, the electronic and optical properties of graphene nanoribbons at both external transverse and modulated longitudinal electric field have been investigated. The single π-band tight-binding method, with the nearest neighbor interactions, is used to describe the electronic properties of the graphene nanoribbons. The optical properties of graphene nanoribbons are investigated by Fermi Golden rule within Gradient approximation. Our calculation has shown that applying the electric field would modify the energy dispersions, remove the state degeneracy, alter the sub band spacing, change the energy band gap, cause semiconductor–metal transition and change feature of optical absorption spectra. It is shown that the strength and the period of the electric field have important role on determining the properties of the adsorption peaks in the adsorption spectra of GNRs, namely, changing the frequency and the height of the first peak, altering the other peak position and height and even producing new peaks. The theoretically obtained results were in agreement by other reports on wider graphene ribbons.

Publisher's Note: Optical properties of graphene nanoribbons: The role of many-body effects [Phys. Rev. B 77, 041404(R) (2008)

Received 11 January 2008DOI:https://doi.org/10.1103/PhysRevB.77.049904©2008 American Physical Society

Optical properties of graphene nanoribbons: The role of many-body effects

We investigate from first principles the optoelectronic properties of nanometer-sized armchair graphene nanoribbons GNRs. We show that many-body effects are essential to correctly describe both energy gaps and optical response. As a signature of the confined geometry, we observe strongly bound excitons dominating the optical spectra, with a clear family-dependent binding energy. Our results demonstrate that GNRs constitute one-dimensional nanostructures whose absorption and luminescence performance can be controlled by changing both family and edge termination.