Dual origin of defect magnetism in graphene and its reversible switching by molecular doping.

Rectification in Graphene Self-Switching Nanodiode Using Side Gates Doping

The electrical properties and rectification behavior of the graphene self-switching diodes by side gates doping with nitrogen and boron atoms were investigated using density functional tight-binding method. The devices gates doping changes the electrical conductivity of the side gates and the semiconductor channel nanoribbons. As a result, the threshold voltage value under the forward bias is s...

Magnetization due to localized states on graphene grain boundary

Magnetism in graphene has been found to originate from various defects, e.g., vacancy, edge formation, add-atoms etc. Here, we discuss about an alternate route of achieving magnetism in graphene via grain boundary. During chemical vapor deposition of graphene, several graphene nucleation centers grow independently and face themselves with unusual bonding environment, giving rise to the formatio...

Switching on magnetism in Ni-doped graphene: Density functional calculations

Study of Stone-wales Defect on Elastic Properties of Single-layer Graphene Sheets by an Atomistic based Finite Element Model

In this paper, an atomistic based finite element model is developed to investigate the influence of topological defects on mechanical properties of graphene. The general in-plane stiffness matrix of the hexagonal network structure of graphene is found. Effective elastic modulus of a carbon ring is determined from the equivalence of molecular potential energy related to stretch and angular defor...

Defect controlled magnetism in FeP/graphene/Ni(111)

Spin switching of organometallic complexes by ferromagnetic surfaces is an important topic in the area of molecular nanospintronics. Moreover, graphene has been shown as a 2D surface for physisorption of molecular magnets and strain engineering on graphene can tune the spin state of an iron porphyrin (FeP) molecule from S = 1 to S = 2. Our ab initio density functional calculations suggest that ...