At the present theoretical study, DFT calculations were performed for elucidating thereaction, absorption energy and the quantum molecular descriptors including electronic chemical potential, chemical hardness, Homo, Lumo, band gap energy (Eg) and finding the most active nitrogen-doped graphene sheet (N-G) for absorption H2S, CH4, N2 and CO2 gases. Finally it found that nitrogen-doped gra...

We use scanning tunneling microscopy and X-ray spectroscopy to characterize the atomic and electronic structure of boron-doped and nitrogen-doped graphene created by chemical vapor deposition on copper substrates. Microscopic measurements show that boron, like nitrogen, incorporates into the carbon lattice primarily in the graphitic form and contributes ~0.5 carriers into the graphene sheet per...

Robust methods to tune the unique electronic properties of graphene by chemical modification are in great demand due to the potential of the two dimensional material to impact a range of device applications. Here we show that carbon and nitrogen core-level resonant X-ray spectroscopy is a sensitive probe of chemical bonding and electronic structure of chemical dopants introduced in single-sheet...

We investigate the effect of nitrogen and boron doping on Li diffusion through defected graphene using first principles based density functional theory. While a high energy barrier rules out the possibility of Li- diffusion through the pristine graphene, the barrier reduces with the incorporation of defects. Among the most common defects in pristine graphene, Li diffusion through the divacancy ...

SnO2/nitrogen-doped graphene nanohybrids have been synthesized by an in situ hydrothermal method, during which the formation of SnO2 nanocrystals and nitrogen doping of graphene occur simultaneously. The as-prepared SnO2/nitrogen-doped graphene nanohybrids exhibit enhanced electrochemical performance for sodium-ion batteries compared to SnO2/graphene nanocomposites. A systematic comparison betw...

In this work, we present a synthesis approach for nitrogen-doped graphene-sheet-like nanostructures via the graphitization of a heteroatom polymer, in particular, polyaniline, under the catalysis of a cobalt species using multiwalled carbon nanotubes (MWNTs) as a supporting template. The graphene-rich composite catalysts (Co-N-MWNTs) exhibit substantially improved activity for oxygen reduction ...

development of efficient electrocatalysts for oxygen reduction reaction (orr) is one of the most important issues for optimizing the performance of fuel cells and metal-air batteries. the introduction of nitrogen into carbon nanostructures has created new pathways for the development of non-precious electrocatalysts in fuel cells. in this work, nitrogen-doped graphene (ng) was synthesized by a ...

The co-doping of graphene with nitrogen and sulfur was investigated aiming at understanding their interactions with the presence of oxygen in graphene. The co-doped graphene (NS-G) was synthesized via a one-pot hydrothermal route using graphene oxide as starting material and L-cysteine, an amino acid containing both N and S, as the doping agent. The obtained NS-G with a three-dimensional hierar...

Using a modified chemical vapor deposition (CVD) method, we have prepared a class of new graphene foams (GFs) doped with nitrogen, boron or both. Nitrogen-doped graphene foams (N-GFs) with a nitrogen doping level of 3.1 atom% were prepared by CVD of CH4 in the presence of NH3 while boron-doped graphene foams (B-GFs) with a boron doping level of 2.1 atom% were produced by using toluene and triet...

Boron and nitrogen doped graphenes are highly promising materials for electrochemical applications, such as energy storage, generation and sensing. The doped graphenes can be prepared by a broad variety of chemical approaches. The substitution of a carbon atom should induce n-type behavior in the case of nitrogen and p-type behavior in the case of boron-doped graphene; however, the real situati...