A nanographene disk rotating a single molecule gear on a Cu(111) surface

We perform molecular dynamics simulations to study the collective rotation of a graphene nanodisk functionalized on its circumference by tert-butylphenyl chemical groups in interaction with a molecule-gear hexa-tert-butylphenylbenzene supported by a Cu(111) surface. The rotational motion can be categorized underdriving, driving and overdriving regimes calculating the locking coefficient of this machinery as a function of external torque applied. Moreover, the rotational friction with the surface of both the phononic and electronic contributions is investigated. It shows that for small size graphene nanodisks the phononic friction is the main contribution, whereas the electronic one dominates for the larger disks putting constrains on the experimental way of achieving the transfer of rotation from a graphene nanodisk to single molecule-gear.

Terahertz Optical Bistability in the Metal Nanoparticles-Graphene Nanodisks-Quantum Dots Hybrid Systems

We theoretically investigate the optical bistability in the metal nanoparticles-graphene nanodisks-quantum dots hybrid plasmonic system in the infrared regime of the electromagnetic radiation. The quantum dot is considered to be a three-level atomic-like system of Λ type interacting with probe and control fields. By using the standard model of the optical bistability where a nonlinear medium is situated in an optical ring cavity, we numerically solve the equation of motion for the density matrix elements that describe the dynamics of the system in steady-state conditions along with the boundary conditions of the cavity to analyze the optical bistability of the system. The effect of the geometrical features of the system and the parameters of the interacting fields including the strength and detuning of the fields on the optical bistability behavior are investigated. Our proposed hybrid plasmonic system shows an ultralow-threshold controllable optical bistability, providing a promising platform for optical bistable devices at the terahertz, such as all-optical switches and biosensors.

A Novel Metal Nanoparticles-Graphene Nanodisks-Quantum Dots Hybrid-System-Based Spaser

Active nanoplasmonics have recently led to the emergence of many promising applications. One of them is the spaser (surface plasmons amplification by stimulated emission of radiation) that has been shown to generate coherent and intense fields of selected surface plasmon modes that are strongly localized in the nanoscale. We propose a novel nanospaser composed of a metal nanoparticles-graphene nanodisks hybrid plasmonic system as its resonator and a quantum dots cascade stack as its gain medium. We derive the plasmonic fields induced by pulsed excitation through the use of the effective medium theory. Based on the density matrix approach and by solving the Lindblad quantum master equation, we analyze the ultrafast dynamics of the spaser associated with coherent amplified plasmonic fields. The intensity of the plasmonic field is significantly affected by the width of the metallic contact and the time duration of the laser pulse used to launch the surface plasmons. The proposed nanospaser shows an extremely low spasing threshold and operates in the mid-infrared region that has received much attention due to its wide biomedical, chemical and telecommunication applications.

Effect of Nanodisks at Different Positions on the Fano Resonance of Graphene Heptamers

The formation of Fano resonance based on graphene heptamers with D6h symmetry and the effect of nanoparticles at different positions on the collective behavior are investigated in this paper. The significances of central nanodisks on the whole structure are studied first by varying the chemical potential. In addition, the effect of six graphene nanodisks placed in the ring on collective behaviors is also investigated. The influence of the nanodisks at different positions of the ring on the Fano resonance spectrum of the whole oligomer is researched by changing the chemical potential and radius. The proposed nanostructures may find broad applications in the fields of chemical and biochemical sensing.

Potential Application of h-BNC Structures in SERS and SEHRS Spectroscopies: A Theoretical Perspective

In this work, the electronic and optical properties of hybrid boron-nitrogen-carbon structures (h-BNCs) with embedded graphene nanodisks are investigated. Their molecular affinity is explored using pyridine as model system and comparing the results with the corresponding isolated graphene nanodisks. Time-dependent density functional theory (TDDFT) analysis of the electronic excited states was performed in the complexes in order to characterize possible surface and charge transfer resonances in the UV region. Static and dynamic (hyper)polarizabilities were calculated with coupled-perturbed Kohn-Sham theory (CPKS) and the linear and nonlinear optical responses of the complexes were analyzed in detail using laser excitation wavelengths available for (Hyper)Raman experiments and near-to-resonance excitation wavelengths. Enhancement factors around 103 and 108 were found for the polarizability and first order hyperpolarizability, respectively. The quantum chemical simulations performed in this work point out that nanographenes embedded within hybrid h-BNC structures may serve as good platforms for enhancing the (Hyper)Raman activity of organic molecules immobilized on their surfaces and for being employed as substrates in surface enhanced (Hyper)Raman scattering (SERS and SEHRS). Besides the better selectivity and improved signal-to-noise ratio of pristine graphene with respect to metallic surfaces, the confinement of the optical response in these hybrid h-BNC systems leads to strong localized surface resonances in the UV region. Matching these resonances with laser excitation wavelengths would solve the problem of the small enhancement factors reported in Raman experiments using pristine graphene. This may be achieved by tuning the size/shape of the embedded nanographene structure.

Giant Self-Kerr Nonlinearity in the Metal Nanoparticles-Graphene Nanodisks-Quantum Dots Hybrid Systems Under Low-Intensity Light Irradiance

Hybrid nanocomposites can provide a promising platform for integrated optics. Optical nonlinearity can significantly widen the range of applications of such structures. In the present paper, a theoretical investigation is carried out by solving the density matrix equations derived for a metal nanoparticles-graphene nanodisks-quantum dots hybrid system interacting with weak probe and strong control fields, in the steady state. We derive analytical expressions for linear and third-order nonlinear susceptibilities of the probe field. A giant self-Kerr nonlinear index of refraction is obtained in the optical region with relatively low light intensity. The optical absorption spectrum of the system demonstrates electromagnetically induced transparency and amplification without population inversion in the linear optical response arising from the negative real part of the polarizabilities for the plasmonic components at the energy of the localized surface plasmon resonance of the graphene nanodisks induced by the probe field. We find that the self-Kerr nonlinear optical properties of the system can be controlled by the geometrical features of the system, the size of metal nanoparticles and the strength of the control field. The controllable self-Kerr nonlinearities of hybrid nanocomposites can be employed in many interesting applications of modern integrated optics devices allowing for high nonlinearity with relatively low light intensity.