Atom implantation in graphene or graphene nanoribbons offers a rich opportunity to tune the material structure and functional properties. In this study, zigzag graphene nanoribbons with Ti or Sn adatoms stabilised on a double carbon vacancy site are theoretically studied to investigate their sensitivity to sulfur-containing gases (H2S and SO2). Due to the abundance of oxygen in the atmosphere, ...

We report a density functional theory (DFT) study of microscopic detailed effects of the bonding configuration of nitrogen-doped graphene (N-graphene) within the carbon lattice (including pyridinic, pyrrolic, and graphitic N) on the reactivity and mechanistic processes of H2O2 reduction reaction. We simulated the adsorption process of H2O2, analyzed the mechanistic processes, and calculated the...

The current study both synthesizes and uses four compounds of graphene oxide (GO), nitrogen doped graphene oxide (ND-GO), high nitrogen doped graphene oxide (HND-GO), and three dimensional high nitrogen doped graphene oxide (3D-HND-GO) in order to remove a model anionic dye, Congo red (CR) from wastewaters. It also compares their carbon nano-structure, with regard to removal efficiency and find...

Graphene with a large specific surface area and high conductivity has a large specific capacitance. However, its volumetric capacitance is usually very low because the restacking of 2D graphene sheets leads to the loss of the large ion-accessible surface area. Here we report squeezable bicontinuous nanoporous nitrogen-doped graphene, which is extremely flexible and can tolerate large volume con...

Nitrogen-doped graphene materials with abundant pyridinic and quaternary nitrogen species were selectively synthesized by thermal surface polymerization of nitrogen-containing aromatic molecules. Catalytic studies revealed that the oxygen reduction by nitrogen-doped graphene, containing pyridinic and quaternary nitrogen species, proceeds via a four- and two-electron reduction pathway, respectiv...

Graphene materials have found applications in a wide range of devices over the past decade. In order to meet the demand for graphene materials, various synthesis methods are constantly being improved or invented. Ball-milling of graphite to obtain graphene materials is one of the many versatile methods to easily obtain bulk quantities. In this work, we show that the graphene materials produced ...

Based on first principles density functional theory calculations we explored energetics of oxygen reduction reaction over pristine and nitrogen-doped graphene with different amounts of nitrogen doping. The process of oxygen reduction requires one more step than the same reaction catalyzed by metals. Results of calculations evidence that for the case of light doped graphene (about 4% of nitrogen...

N-doped TiO₂ nanotubes have been prepared as additives to improve the catalytic capability of Pt/graphene composites in methanol oxidation reactions. Electrochemical experiments show that the catalytic performance of Pt/graphene composites has been greatly improved by the introduction of N-doped TiO₂ nanotubes.

Nitrogen doped graphene was modified by N-alkylation using a combination of phase transfer catalysis and microwave irradiation. The resulting derivatives of N-doped graphene were analysed showing that the bandgap of the material varied depending on the alkylation agent used.

Few-layer nitrogen-doped graphene has been prepared via fast and controlled electrochemical exfoliation of graphite in a protic ionic liquid ethylammonium nitrate. The method presents a potentially scalable approach for preparation of metal-free, N-doped graphene for use as electrocatalysts for oxygen reduction reactions.