Enhancement of nonlinear optical properties of graphene oxide-based structures: push–pull models

Abstract

Through DFT calculations and the finite field approach, it is possible to identify some structural and electronic aspects that could lead to enhancement of the nonlinear optical (NLO) molecular properties of graphene oxide and its derivatives.

Formation of Sublimable Nanographene Oxides by Reacting Coronene Films with Atomic Oxygen

“…Note that CO and CO 2 desorb from an oxidized coronene film at rather low temperatures (see section 9 of the Supporting Information). This observation indicates that significant activation of C–C bonds adjacent to analogous oxidic groups can occur in a temperature range below that of C 24 H 12 O l emission (in agreement with theoretical predictions) . Such processes could also result in the formation of oxygen-interlinked oligomers.…”

“…The unzipped configuration appears to be more stable than any other in the system of two oxygen atoms pinned by a graphitic core (by ≈1.2 eV), and indeed it may represent the step initializing the oxygen-induced formation of cracks in the graphitic core (chains of cracks), i.e., the formation of ether species. Almeida et al 57 calculated different stable coronene derivatives (and isomers thereof) decorated with various functional groups in order to reconstruct vibrational spectra.…”

“…The sublimation yield could probably be further enhanced by repeated deposition/oxidation cycles thus fabricating a layered film for sublimationor even simultaneous preparation. Given that coronene oxides are predicted to have high polarizabilities, 57 it would be interesting to explore their solubility in standard solvents and possible chromatographic fractionation (e.g., by HPLC procedures) to yield pure substances for further spectroscopic study.…”

First-principles study of nitrogen-doped nanographene as an efficient charge transport and nonlinear optical material

“…6 To meet the need of novel emerging technologies, over the last few years, many kinds of materials are explored for their useful electro-optical properties. [7][8][9][10] The organic class of materials played a crucial role due to their great diversity in structure, cost effectiveness as well as ease of fabrication etc. For instance, several organic classes have perhaps shown a very good potential to use them as efficient light emitting diodes, semiconducting materials and as NLO materials.…”

Electronic Nose Based on Carbon Nanocomposite Sensors for Clove Essential Oil Detection

“…The distinct electrical response is obtained through the surface modification with ultrathin films, a sensitive layer. Conductive polymers, such as polyaniline (PANI), have been used as a sensitive layer in liquid and gas sensors because of the high sensitivity, stability, reversibility, short response time, ease of synthesis, and low cost. − Carbon-based nanomaterials such as graphene oxide (GO) and multi-walled carbon nanotube (MWCNT) have also been widely employed to improve the performance, conductivity, and mechanical and thermal properties of sensitive layers. − Moreover, PANI conjugation with MWCNTs and/or GO significantly enhances the electrocatalytic activity of the resultant electrode, with faster electron transfer and effective carrier collection.…”