Littérature scientifique sur le sujet « Opto-electronics - Graphene »

Graphene has attracted considerable interest as a prospective material for future electronics and opto-electronics. Here, the synthesis process of large area few layers graphene by Atmospheric Pressure Chemical Vapor Deposition (APCVD) technique is demonstrated. Quality assessments of graphene are performed and confirmed by Raman analysis and optical spectroscopy. Next, graphene was transferred on Polyethylene Terephthalate (PET) substrates and implemented as transparent conductive electrode in flexible Polymer Dispersed Liquid Crystal (PDLC) devices. Their electro-optical properties, such as voltage-dependent transmittance and flexibility behavior are measured and discussed. The stability of the sheet resistance after 1200 bending tests of graphene/PET structure is demonstrated. The obtained results open a great potential of graphene integration into the next generation Indium Tin Oxide (ITO) free flexible and stretchable optoelectronics.

This brief letter presents this Special Issue nominated as “Hybrid Graphene-based Materials: Synthesis, Characterization, Properties, and Applications”. This intends to show and discuss the main properties of Graphene and its derivatives; and how it could be synthesized, modified and tuned for Optics, Electro-Optics, Electronics, and Quantum characteristics. In this context, the synthesis and chemical modifications were highlighted for the design of Hybrid composites, platforms. In this context, it was afforded to varied developments within Multidisciplinary fields for high-impact Research and applications. In this manner, Graphene joined to other organic and inorganic materials showed different properties compared to free and non-modified Graphene. This fact, permitted to tune of electronic properties through materials that were transferred to applications. For example, the high electronic density could generate pseudo-electromagnetic fields and other phenomena such as luminescence, electronic conductions, and specific Quantum states that could be joined to optical active materials. Thus, it was afforded to the discussion and introduction in this other Research field as well. In this manner, it was intended to afford an overview of the high-impact Research and potential perspectives of Hybrid Graphene materials.

Abstract Twist-angle two-dimensional systems, such as twisted bilayer graphene, twisted bilayer transition metal dichalcogenides, twisted bilayer phosphorene and their multilayer van der Waals heterostructures, exhibit novel and tunable properties due to the formation of Moiré superlattice and modulated Moiré bands. The review presents a brief venation on the development of “twistronics” and subsequent applications based on band engineering by twisting. Theoretical predictions followed by experimental realization of magic-angle bilayer graphene ignited the flame of investigation on the new freedom degree, twist-angle, to adjust (opto)electrical behaviors. Then, the merging of Dirac cones and the presence of flat bands gave rise to enhanced light-matter interaction and gate-dependent electrical phases, respectively, leading to applications in photodetectors and superconductor electronic devices. At the same time, the increasing amount of theoretical simulation on extended twisted 2D materials like TMDs and BPs called for further experimental verification. Finally, recently discovered properties in twisted bilayer h-BN evidenced h-BN could be an ideal candidate for dielectric and ferroelectric devices. Hence, both the predictions and confirmed properties imply twist-angle two-dimensional superlattice is a group of promising candidates for next-generation (opto)electronics.

We report the direct growth of crystalline GaN on bare copper (Cu) and monolayer-graphene/Cu metal foils using laser molecular beam epitaxy technique at growth temperature of 700 °C. The surface morphology investigated with field emission scanning electron microscopy revealed that the size of GaN grains for film grown on bare Cu falls in range of 90 to 160 nm whereas large grains with size of ˜200 to 600 nm was obtained for GaN grown on graphene/Cu foil under similar growth condition. The transverse optical mode of cubic GaN and E2 (high) phonon mode for wurtzite GaN phases were obtained on the GaN film grown on Cu and graphene/Cu metal foils as deduced by Raman spectroscopy. The photoluminescence (PL) spectroscopy studies showed that the near band edge emission peaks for GaN on Cu and graphene/Cu consist two major peaks at 3.26 and 3.4 eV, corresponding to cubic and wurtzite GaN, respectively. The Raman and PL studies disclosed that the mixed phase growth of GaN occurs on these foils and better structural and optical quality for GaN on graphene/Cu foil. The direct growth of GaN on two dimensional graphene on polycrystalline metal foils is beneficial various transferrable and flexible opto-electronics device applications.

Employing first-principles calculations based on density functional theory (DFT), we designed a novel two-dimensional (2D) elemental monolayer allotrope of carbon called hexatetra-carbon. In the hexatetra-carbon structure, each carbon atom bonds with its four neighboring atoms in a 2D double layer crystal structure, which is formed by a network of carbon hexagonal prisms. Based on our calculations, it is found that hexatetra-carbon exhibits a good structural stability as confirmed by its rather high calculated cohesive energy −6.86 eV/atom, and the absence of imaginary phonon modes in its phonon dispersion spectra. Moreover, compared with its hexagonal counterpart, i.e., graphene, which is a gapless material, our designed hexatetra-carbon is a semiconductor with an indirect band gap of 2.20 eV. Furthermore, with a deeper look at the hexatetra-carbon, one finds that this novel monolayer may be obtained from bilayer graphene under external mechanical strain conditions. As a semiconductor with a moderate band gap in the visible light range, once synthesized, hexatetra-carbon would show promising applications in new opto-electronics technologies.

Stretchable and wearable opto-electronics have attracted worldwide attention due to their broad prospects in health monitoring and epidermal applications. Resistive strain sensors, as one of the most typical and important device, have been the subject of great improvements in sensitivity and stretchability. Nevertheless, it is hard to take both sensitivity and stretchability into consideration for practical applications. Herein, we demonstrated a simple strategy to construct a highly sensitive and stretchable graphene-based strain sensor. According to the strain distribution in the simulation result, highly sensitive planar graphene and highly stretchable crumpled graphene (CG) were rationally connected to effectively modulate the sensitivity and stretchability of the device. For the stretching mode, the device showed a gauge factor (GF) of 20.1 with 105% tensile strain. The sensitivity of the device was relatively high in this large working range, and the device could endure a maximum tensile strain of 135% with a GF of 337.8. In addition, in the bending mode, the device could work in outward and inward modes. This work introduced a novel and simple method with which to effectively monitor sensitivity and stretchability at the same time. More importantly, the method could be applied to other material categories to further improve the performance.

Graphene quantum dots (GQDs) have received great attention as optical agents because of their low toxicity, stable photoluminescence (PL) in moderate pH solutions, and size-dependent optical properties. Although many synthetic routes have been proposed for producing GQD solutions, the broad size distribution in GQD solutions limits its use as an efficient optical agent. Here, we present a straightforward method for size fractionation of GQDs dispersed in water using a cross-flow filtration system and a track-etched membrane with cylindrical uniform nanopores. The GQD aqueous suspension, which primarily contained blue-emitting GQDs (B-GQDs) and green-emitting GQDs (G-GQDs), was introduced to the membrane in tangential flow and was fractionated with a constant permeate flow of about 800 L m−2 h−1 bar−1. After filtration, we observed a clear blue PL spectrum from the permeate side, which can be attributed to selective permeation of relatively small B-GQDs. The process provided a separation factor (B-GQDs/G-GQDs) of 0.74. In the cross-flow filtration system, size-dependent permeation through cylindrical nanochannels was confirmed by simulation. Our results demonstrate a feasible method facilitating size fractionation of two-dimensional nanostructures using a cross-flow membrane filtration system. Since membrane filtration is simple, cost-effective, and scalable, our approach can be applied to prepare a large amount of size-controlled GQDs required for high performance opto-electronics and bio-imaging applications.

AbstractThe nonlinear optical properties of two graphene derivatives, graphene oxide and graphene fluoride, are investigated by means of the Z-scan technique employing 35 ps and 4 ns, visible (532 nm) laser excitation. Both derivatives were found to exhibit significant third-order nonlinear optical response at both excitation regimes, with the nonlinear absorption being relatively stronger and concealing the presence of nonlinear refraction under ns excitation, while ps excitation reveals the presence of both nonlinear absorption and refraction. Both nonlinear properties are of great interest for several photonics, opto-fluidics, opto-electronics and nanotechnology applications.

Micro-electromechanical systems (MEMS) have found extensive applications in micromechanical sensing. The scaling of MEMS into nano-electromechanical systems (NEMS) was spurred primarily by the expectation of higher sensitivity . NEMS resonators offer unique attributes like vibrating frequencies in the radio-frequency (RF) and microwave range and vibrating mass in femtograms. They hold promise for ultra-low mass-sensing, force-sensing, charge-sensing, and study of nonlinear dynamics. One of the most exciting materials for NEMS is graphene, the thinnest mechanical membrane till date. The interesting question is, how the mechanics would behave when the size is scaled to a one or two atomic layers? Characterising mechanical property of such materials becomes extremely challenging with the current techniques. While electrical transduction is quite favourable for MEMS, similar techniques are challenging to implement in case of high frequency NEMS devices. Optical transduction techniques are preferable for NEMS. However, most existing optical transduction techniques are based on free-space optics, where the entire system is bulky, susceptible to noise and precise alignment of optical components poses a challenge. A highly sensitive integrated scheme with ultra-low noise characteristics is essential to probe such a system. In this thesis, I shall discuss about the integration of graphene nano-mechanical resonator over integrated-optic platforms operating at near-IR to form an integrated nano-opto-electromechanical system (NOEMS). The interaction of graphene with near-IR, on-chip optical transduction schemes using optical cavities is rst discussed. A displacement-sensitivity of 28 fm= p Hz has been theoretically estimated using a sensitive integrated-optic device (a micro-ring resonator loaded onto a Mach-Zehnder interferometer). Optical actuation schemes are discussed along with possible applications and implementational challenges. The ability to tune and actuate the mechanical resonance as well as to manipulate mechanical nonlinearity are theoretically demonstrated. Furthermore, integration of transparent electrodes over waveguides for manipulation of the mechanical resonance as well as the optical cavity, for cavity-optomechanical experiments, is discussed. Finally, the complete structure of the system and its fabrication are discussed

The present thesis deals with a theoretical study of electronic structures in -conjugated molecular materials with focus on their application in organic elec-tronics. We also discuss a modified and efficient symmetrized DMRG algorithm for studying excited states in these systems. In recent times, organic conjugated systems have emerged as potential candidates in a wide range of fascinating fields by virtue of their tunable electronic properties, easy processability and low cost. Tunability in the electronic and optical properties primarily are centered on the or-dering and nature of the low-lying excited states. Probing these important excited states also demands development of efficient and adaptable techniques. Chapter 1 provides a basic overview of conjugated organic polymers which have been utilized over decades in diverse fields as in organic light emitting diodes (OLED), organic solar cells (OSC) and non-linear optical (NLO) devices. These systems also contribute significantly to theoretical understanding as they pro vide important insights of one and quasi-one dimensional systems. In this chapter, we have given basic description of the electronic processes in OLED and OSC along with a brief theoretical description of -conjugated organic systems. Chapter 2 gives an account of the numerical techniques which are necessary for the study of low-dimensional strongly correlated systems like -conjugated sys-tems. For this purpose, effective low-energy model Hamiltonians viz. Huckel,¨ Hubbard and Pariser-Parr-Pople Hamiltonians are discussed. Exact diagonalization technique within the diagrammatic valence bond (DVB) basis and density matrix renormalization group (DMRG) technique are discussed in details. We have also given brief accounts of the methods employed to study real-time dynamics. A short description of different computational techniques for the study of NLO properties in -conjugated systems is also provided. Engineering the position of the lowest triplet state (T1) relative to the first excited singlet state (S1) is of great importance in improving the efficiencies of organic light emitting diodes and organic photovoltaic cells. In chapter 3, we have carried out model exact calculations of substituted polyene chains to understand the fac-tors that affect the energy gap between S1 and T1. The factors studied are backbone dimerization, different donor-acceptor substitutions and twisted backbone geome-try. The largest system studied is an eighteen carbon polyene which spans a Hilbert space of about 991 million in the triplet subspace. We show that for reverse inter-system crossing (RISC) process, the best choice involves substituting all carbon sites on one half of the polyene with donors and the other half with acceptors. Singlet fission (SF) is a potential pathway for significant enhancement of efficiency in OSC. In chapter 4, we study singlet fission in a pair of polyene molecules in two different stacking arrangements employing exact many-body wave packet dy-namics. In the non-interacting model, SF is absent. The individual molecules are treated within Hubbard and Pariser-Parr-Pople (PPP) models and the interac-tion between them involves transfer terms, intersite electron repulsions and site-charge—bond-charge repulsion terms. Initial wave packet is construc ted from ex-cited singlet state of one molecule and ground state of the other. Time develop-ment of this wave packet under the influence of intermolecular interactions is fol-lowed within the Schrodinger¨ picture by an efficient predictor-corrector scheme. In unsubstituted Hubbard and PPP chains, 21A state leads to significant SF yield while the 11B state gives negligible fission yield. On substitution by donor-acceptor groups of moderate strength, the lowest excited state will have sufficient 2 1A char-acter and hence gives significant SF yield. Because of rapid internal c onversion, the nature of the lowest excited singlet will determine the SF contribution to OSC effi - ciency. Furthermore, we find the fission yield depends considerably on th e stacking arrangement of the polyene molecules. In chapter 5, we have given an account of a new modified algorithm for symmetry adaptation within symmetrized density matrix renormalization group (SDMRG) technique. SDMRG technique has been an efficient method for studying low-lying eigenstates in one and quasi-one dimensional electronic systems. However, SDMRG method until now, had bottlenecks involving construction of linearly in-dependent symmetry adapted basis states as the symmetry matrices in the DMRG basis were not sparse. Our modified algorithm overcomes this bottleneck. T he new method incorporates end-to-end interchange symmetry (C2), electron-hole symmetry (J) and parity or spin-flip symmetry (P) in these calculations. The one-to-one correspondence between direct-product basis states in the DMRG Hilbert space for these symmetry operations renders the symmetry matrices in the new ba-sis with maximum sparseness, just one non-zero matrix element per row. Using methods similar to those employed in exact diagonalization technique for Pariser-Parr-Pople (PPP) models, developed in the eighties, it is possible to construct or-thogonal SDMRG basis states while bypassing the slow step of Gram-Schmidt orthonormalization procedure. The method together with the PPP model which incorporates long-range electronic correlations is employed to study the correlated excited states of 1,12-benzoperylene. In chapter 6, we have studied the correlated excited states of coronene and ova-lene within Pariser-Parr-Pople (PPP) model employing symmetry adapted density matrix renormalization group technique. These polynuclear aromatic hydrocar-bons can be considered as graphene nanoflakes and study of their ele ctronic struc-tures will shed light on the electron correlation effects in these finite-size gr aphene analogues. The electron correlation effect usually diminishes on going from one-dimensional to higher-dimensional systems, yet, it is significant within these fin ite-size graphene derivatives where it depends on the molecular topology. We have characterized these low-lying energy states by calculating bond orders, spin den-sities in the lowest triplet state and two-photon absorption cross-sections for low-lying two-photon states. vi

The present thesis deals with a theoretical study of electronic structures in -conjugated molecular materials with focus on their application in organic elec-tronics. We also discuss a modified and efficient symmetrized DMRG algorithm for studying excited states in these systems. In recent times, organic conjugated systems have emerged as potential candidates in a wide range of fascinating fields by virtue of their tunable electronic properties, easy processability and low cost. Tunability in the electronic and optical properties primarily are centered on the or-dering and nature of the low-lying excited states. Probing these important excited states also demands development of efficient and adaptable techniques. Chapter 1 provides a basic overview of conjugated organic polymers which have been utilized over decades in diverse fields as in organic light emitting diodes (OLED), organic solar cells (OSC) and non-linear optical (NLO) devices. These systems also contribute significantly to theoretical understanding as they pro vide important insights of one and quasi-one dimensional systems. In this chapter, we have given basic description of the electronic processes in OLED and OSC along with a brief theoretical description of -conjugated organic systems. Chapter 2 gives an account of the numerical techniques which are necessary for the study of low-dimensional strongly correlated systems like -conjugated sys-tems. For this purpose, effective low-energy model Hamiltonians viz. Huckel,¨ Hubbard and Pariser-Parr-Pople Hamiltonians are discussed. Exact diagonalization technique within the diagrammatic valence bond (DVB) basis and density matrix renormalization group (DMRG) technique are discussed in details. We have also given brief accounts of the methods employed to study real-time dynamics. A short description of different computational techniques for the study of NLO properties in -conjugated systems is also provided. Engineering the position of the lowest triplet state (T1) relative to the first excited singlet state (S1) is of great importance in improving the efficiencies of organic light emitting diodes and organic photovoltaic cells. In chapter 3, we have carried out model exact calculations of substituted polyene chains to understand the fac-tors that affect the energy gap between S1 and T1. The factors studied are backbone dimerization, different donor-acceptor substitutions and twisted backbone geome-try. The largest system studied is an eighteen carbon polyene which spans a Hilbert space of about 991 million in the triplet subspace. We show that for reverse inter-system crossing (RISC) process, the best choice involves substituting all carbon sites on one half of the polyene with donors and the other half with acceptors. Singlet fission (SF) is a potential pathway for significant enhancement of efficiency in OSC. In chapter 4, we study singlet fission in a pair of polyene molecules in two different stacking arrangements employing exact many-body wave packet dy-namics. In the non-interacting model, SF is absent. The individual molecules are treated within Hubbard and Pariser-Parr-Pople (PPP) models and the interac-tion between them involves transfer terms, intersite electron repulsions and site-charge—bond-charge repulsion terms. Initial wave packet is construc ted from ex-cited singlet state of one molecule and ground state of the other. Time develop-ment of this wave packet under the influence of intermolecular interactions is fol-lowed within the Schrodinger¨ picture by an efficient predictor-corrector scheme. In unsubstituted Hubbard and PPP chains, 21A state leads to significant SF yield while the 11B state gives negligible fission yield. On substitution by donor-acceptor groups of moderate strength, the lowest excited state will have sufficient 2 1A char-acter and hence gives significant SF yield. Because of rapid internal c onversion, the nature of the lowest excited singlet will determine the SF contribution to OSC effi - ciency. Furthermore, we find the fission yield depends considerably on th e stacking arrangement of the polyene molecules. In chapter 5, we have given an account of a new modified algorithm for symmetry adaptation within symmetrized density matrix renormalization group (SDMRG) technique. SDMRG technique has been an efficient method for studying low-lying eigenstates in one and quasi-one dimensional electronic systems. However, SDMRG method until now, had bottlenecks involving construction of linearly in-dependent symmetry adapted basis states as the symmetry matrices in the DMRG basis were not sparse. Our modified algorithm overcomes this bottleneck. T he new method incorporates end-to-end interchange symmetry (C2), electron-hole symmetry (J) and parity or spin-flip symmetry (P) in these calculations. The one-to-one correspondence between direct-product basis states in the DMRG Hilbert space for these symmetry operations renders the symmetry matrices in the new ba-sis with maximum sparseness, just one non-zero matrix element per row. Using methods similar to those employed in exact diagonalization technique for Pariser-Parr-Pople (PPP) models, developed in the eighties, it is possible to construct or-thogonal SDMRG basis states while bypassing the slow step of Gram-Schmidt orthonormalization procedure. The method together with the PPP model which incorporates long-range electronic correlations is employed to study the correlated excited states of 1,12-benzoperylene. In chapter 6, we have studied the correlated excited states of coronene and ova-lene within Pariser-Parr-Pople (PPP) model employing symmetry adapted density matrix renormalization group technique. These polynuclear aromatic hydrocar-bons can be considered as graphene nanoflakes and study of their ele ctronic struc-tures will shed light on the electron correlation effects in these finite-size gr aphene analogues. The electron correlation effect usually diminishes on going from one-dimensional to higher-dimensional systems, yet, it is significant within these fin ite-size graphene derivatives where it depends on the molecular topology. We have characterized these low-lying energy states by calculating bond orders, spin den-sities in the lowest triplet state and two-photon absorption cross-sections for low-lying two-photon states. vi