Graphene to graphite: electronic changes within DFT calculations

AlZahrani, A.Z.; Srivastava, G. P.

doi:10.1590/s0103-97332009000600013

Cited by 26 publications

(11 citation statements)

References 28 publications

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“…We likewise observed FL relaxation (Figure I) associated with the cis/trans transition of AzoTATA/graphene. This decay was considerably more rapid in 1–3 graphene layers vis-à-vis four graphene layers, plausibly due to the reduced effect of the dipole on the graphene resulting from its bulk electronic character relative to 1–3 layer graphene . Overall, the photoswitching behavior of the azobenzene group oriented orthogonally to the surface normal demonstrated a modular Raman enhancement by the graphene layers on the adsorbed molecular platform.…”

Section: Resultsmentioning

confidence: 99%

Dipole-Induced Raman Enhancement Using Noncovalent Azobenzene-Functionalized Self-Assembled Monolayers on Graphene Terraces

Brill

Biswas

Toroker

et al. 2021

ACS Appl. Mater. Interfaces

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Graphene is a promising material in the field of interface science, especially for noncovalent functionalization, sensing, and for applications in catalysis and nanoelectronics. The noncovalent self-assembly of aromatic molecules on graphene promotes electronic coupling through π−π interactions that allows for quenching of the fluorescence of adsorbent molecules and the enhancement of their Raman spectra via graphene-enhanced Raman spectroscopy (GERS). Although recent work has explored the Raman enhancement on mono-and bilayer graphene, the layer dependence of both electronic phenomena (i.e., fluorescence quenching and Raman enhancement) has largely remained underexplored. Similarly, the effect of near-surface molecular dipoles on GERS has sparsely been examined. In this work, we employ self-assembled monolayers of azobenzene-decorated triazatriangulene molecules (AzoTATA) on graphene terraces to examine the effect of switchable molecular dipoles on the GERS effect, which occurs as a function of azobenzene photoisomerization. Furthermore, using empirical and computational methods, we present a systematic study for deriving the mechanism of GERS enhancement and fluorescence quenching on graphene terraces.

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Section: Resultsmentioning

confidence: 99%

Dipole-Induced Raman Enhancement Using Noncovalent Azobenzene-Functionalized Self-Assembled Monolayers on Graphene Terraces

Brill

Biswas

Toroker

et al. 2021

ACS Appl. Mater. Interfaces

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“…The electron velocity decreases from the single layer graphene to the bilayer and multilayer graphene, and further to bulk graphite. The electron effective mass gradually increases from the bilayer graphene to multilayer graphene and then to bulk graphite [26] . Therefore, the electrical conductivity of MLG is higher than that of the initial CG.…”

Section: Resultsmentioning

confidence: 99%

Exfoliated multi-layered graphene anode with the broadened delithiation voltage plateau below 0.5 V

Song

Tang

et al. 2020

Journal of Energy Chemistry

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“…The measurement of effective mass m * for a large range of carrier densities in a bilayer graphene was performed using Shubnikov-de Haas (SdH) oscillations 64 . From the first principles study, it was reported that the effective mass in bilayer graphene is approaximately 0.022m e (m e being the bare mass) and also the value increases with the increase in number of layers 65 . Alternatively, the carrier transport properties in a bilayer graphene can also be tuned by the presence of Rashba SOC which could be enhanced by metal-atom adsorption or using an external gate voltage.…”

Section: Connection With Experimentsmentioning

confidence: 99%

Study of edge states and conductivity in spin-orbit coupled bilayer graphene

Sinha

Basu

2019

Eur. Phys. J. B

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We present an elaborate and systematic study of the conductance properties of a zigzag bilayer graphene nanoribbon modeled by a Kane-Mele (KM) Hamiltonian. The interplay of the Rashba and the intrinsic spin-orbit couplings with the edge states, electronic band structures, charge and spin transport are explored in details. We have analytically derived the conditions for the edge states for a bilayer KM nanoribbon and show how these modes decay for lattice sites inside the bulk. It is particularly interesting to note that for a finite-size ribbon an even number of zigzag ribbon hosts a finite energy gap at the Dirac points, while the odd ones do not. This asymmetry is present both in presence and absence of a bias voltage that may exist between the layers. The interlayer Rashba spin-orbit coupling, along with the intralayer intrinsic spin-orbit and intralayer Rashba spin-orbit couplings seem to destroy the quantum spin Hall (QSH) phase where the QSH phase is identified by the presence of a conductance plateau (of magnitude 4e 2 /h) in the vicinity of zero Fermi energy. The plateau is sensitive to the values of the spin-orbit coupling parameters. Further, the spin polarized conductance data reveal that a bilayer KM ribbon is found to be more efficient for spintronic applications compared to a monolayer graphene. Finally, a quick check with experiments is done via computing the effective mass of electrons.

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Graphene to graphite: electronic changes within DFT calculations

Cited by 26 publications

References 28 publications

Dipole-Induced Raman Enhancement Using Noncovalent Azobenzene-Functionalized Self-Assembled Monolayers on Graphene Terraces

Dipole-Induced Raman Enhancement Using Noncovalent Azobenzene-Functionalized Self-Assembled Monolayers on Graphene Terraces

Exfoliated multi-layered graphene anode with the broadened delithiation voltage plateau below 0.5 V

Study of edge states and conductivity in spin-orbit coupled bilayer graphene

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