In the present paper, we study the effects of functionalization of graphene with simple organic molecules OH, and NH2, focusing on the stability and band gaps of the structures. We have performed DFT calculations for graphene supercells with various numbers of the attached molecules. We have determined adsorption energies of the functionalized graphene monoand bilayers, the changes in the geome...

In this report, we succeed in constructing a hybrid three-dimensional (3D) nanocomposite film by alternatively assembling the graphene nanosheets modified by ionic liquid (IL) and Pt nanoparticles (Pt NPs). In this strategy, an imidazolium salt-based ionic liquid (IS-IL)-functionalized graphene was synthesized by covalently binding 1-(3-aminopropyl)-3-methylimidazolium bromide onto graphene nan...

Objective (s): SN38 is the prominent and effective anticancer drug for treating various types of human cancers such as colorectal, ovarian and lung cancers. SN38 is highly toxic, and due to its poor solubility in aqueous media, and low stability and hydrolysis at physiological pH, it has not been used as an anti-cancer drug. To overcome these problems, SN38 was conjugated with new nanocarriers ...

The heterogeneous oxidation of SO2 has been the subject of intense scrutiny in atmospheric chemistry because of the adverse effects of sulfate particles. Although it has been found that the soot particles with a graphene-like structure play an important role in the oxidation of SO2, little is known about the atomic-level mechanism involved. Here, we studied the oxidation of SO2 on oxygen-functi...

Ultrasensitive room temperature real-time NO₂ sensors are highly desirable due to potential threats on environmental security and personal respiratory. Traditional NO₂ gas sensors with highly operated temperatures (200-600 °C) and limited reversibility are mainly constructed from semiconducting oxide-deposited ceramic tubes or inter-finger probes. Herein, we report the functionalized graphene n...

A practically simple top-down process for the exfoliation of graphene (GN) and few-layer graphene (FLG) from graphite is described. We have discovered that a biocompatible amphiphilic pyrene-based hexahistidine peptide is able to exfoliate, functionalize, and dissolve few layer graphene flakes in pure water under exceptionally mild, sustainable and virtually innocuous low intensity cavitation c...

We report on the grafting of poly(methyl methacrylate) (PMMA) onto the surface of high-density functionalized graphene oxides (GO) through controlled radical polymerization (CRP). To increase the density of surface grafting, GO was first diazotized (DGO), followed by esterification with 2-bromoisobutyryl bromide, which resulted in an atom transfer radical polymerization (ATRP) initiator-functio...

β-Amylase finds application in food and pharmaceutical industries. Functionalized graphene sheets were customised as a matrix for covalent immobilization of Fenugreek β-amylase using glutaraldehyde as a cross-linker. The factors affecting the process were optimized using Response Surface Methodology based Box-Behnken design of experiment which resulted in 84% immobilization efficiency. Scanning...

First-principles computational studies indicate that (B, N, or O)-doped graphene ribbon edges can substantially reduce the energy barrier for H2 dissociative adsorption. The low barrier is competitive with many widely used metal or metal oxide catalysts. This suggests that suitably functionalized graphene architectures are promising metal-free alternatives for low-cost catalytic processes.

A facile method for achieving optical switching of the Dirac point and conductance in reduced graphene oxide multilayer FETs that are non-covalently functionalized with a photo-responsive spiropyran derivative is presented. The photoresponsive transition from spiropyran to merocyanine induces the reversible optical switching in graphene based FETs.