Surface functionalized graphene oxide integrated 9,9-diethyl-9H-fluoren-2-amine monohybrid nanostructure: Synthesis, physicochemical, thermal and theoretical approach towards optoelectronics

Abstract

The fields of energy materials, water purification, environmental protection, catalysis and biomedical technology are greatly promoted by the usage of graphene oxide (GO) and its functionalized derivatives. Among them, the application of functionalized GO in lightning has recently drawn growing attention towards optoelectronics. In the current study, designed and synthesized a 9,9-diethyl-9H-fluoren-2-amine (FA) functionalized with GO by using CDI catalyst results, FA modified graphene oxide (FA-GO) monohybrid. The structural characterization was made with the help of FTIR and Raman spectroscopy; and explored their thermal decomposition temperature (>150 °C). Further, the optical characteristics of UV–visible and photoluminescence (PL) indicate the absorption and emission of FA-GO are ∼314 nm and ∼420 nm, respectively. The calculated CIE color coordinates found to be better in thin film at deep blue emission, are x = 0.158, y = 0.023 (0.1 % PMMA matrix). The FA-GO monohybrid exhibits a striking improvement in PL caused by surface passivation and excited-state intramolecular proton transfer. In addition, density functional theory calculations are used to analyse the stability of the designed structure and its interlayer separation. The results of the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energy levels are −6.357 eV and −2.286 eV respectively with the energy gap ΔE = 4.071 eV. In addition, the FMOs excel in evaluating various chemical reactivity descriptors such as electronegativity (χ = 4.3215), global hardness (η = 2.0355), softness (δ = 0.4913) and electrophilicity (ω = 4.5874). Furthermore, a high dipole moment value of 9.133 Debye of FA-GO ensures a strong intramolecular interaction. These evolutions help to improve the optical properties based on amine-functionalized GO. The outcomes, directing an approach to the development of graphene-based materials for blue lightning applications.