The monodentate associative chemisorption of molecular oxygen on unclustered graphitic-nitrogen-doped graphene requires two nitrogen dopants per activated molecule. Significant charge transfers from regions corresponding to distant nitrogen-dopants, the presence of a nitrogen-dopant adjacent to the carbon atom acting as an active site, which favours its transition from a sp(2) hybridization sta...

Some unusual properties of layered graphite, including a linear energy dependence of the quasiparticle damping and weak ferromagnetism at low doping, are explained as a result of the proximity of a single graphene sheet to the excitonic insulator phase which can be further stabilized in a doped system of many layers stacked in the staggered ( ABAB...) configuration.

There is a huge interest in doped graphene and how doping can tune the material properties for the specific application. It was recently demonstrated that the effect of doping can have different influence on the electrochemical detection of electroactive probes, depending on the analysed probe, on the structural characteristics of the graphene materials and on the type and amount of heteroatom ...

Metal and nitrogen co-doped carbons (M-N/Cs) are promising alternatives to platinum-based catalysts for the oxygen reduction reaction (ORR). Here, density functional theory calculations used compare ORR activity of Co single double sites embedded in N-doped carbon. Two different models a site investigated, one which two stacked on top each other has atoms next graphene sheet. For both it is fou...

A conductive catalyst composed of fullerene-structured MoSe2 hollow spheres and highly nitrogen-doped graphene (HNG-MoSe2) was successfully synthesized via a wet chemical process. The small molecule diethylenetriamine, which was used during the process, served as a surfactant to stabilize the fullerene-structured MoSe2 hollow spheres and to provide a high content of nitrogen heteroatoms for gra...

Graphene is a two-dimensional network in which sp(2)-hybridized carbon atoms are arranged in two different triangular sub-lattices (A and B). By incorporating nitrogen atoms into graphene, its physico-chemical properties could be significantly altered depending on the doping configuration within the sub-lattices. Here, we describe the synthesis of large-area, highly-crystalline monolayer N-dope...

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...

Based on its enticing properties, graphene has been envisioned with applications in the area of electronics, photonics, sensors, bio-applications and others. To facilitate various applications, doping has been frequently used to manipulate the properties of graphene. Despite a number of studies conducted on doped graphene regarding its electrical and chemical properties, the impact of doping on...

Electrocatalysts are essential to two key electrochemical reactions, oxygen evolution reaction (OER) and oxygen reduction reaction (ORR) in renewable energy conversion and storage technologies such as regenerative fuel cells and rechargeable metal–air batteries. Here, we explored N-doped graphene as costeffective electrocatalysts for these key reactions by employing density functional theory (D...

Shell-core nanostructured carbon materials with a nitrogen-doped graphitic layer as a shell and pristine carbon black particle as a core were synthesized by carbonizing the hybrid materials containing in situ polymerized aniline onto carbon black. In an N-doped carbon layer, the nitrogen atoms substitute carbon atoms at the edge and interior of the graphene structure to form pyridinic N and qua...