Based on the first-principles plane wave calculations, we studied the adsorption of Si and Ge on graphene. We found that these atoms are bound to graphene at the bridge site with a significant binding energy, while many other atoms are bound at the hollow site above the center of hexagon. It is remarkable that these adatoms may induce important changes in the electronic structure of graphene even at low coverage. Semimetallic graphene becomes metallized and attains a magnetic moment. The combination of adatom orbitals with those of π - and π * -states of bare graphene is found responsible for these effects. © 2010 American Institute of Physics
The interest in understanding the interaction between graphene and atoms that are adsorbed on its su...
Silicene and germanene derivatives constructed from periodic dumbbell units play a crucial role in m...
Using first-principles density functional theory calculations, we showed that electronic and magneti...
Cataloged from PDF version of article.Based on the first-principles plane wave calculations, we stud...
National 973 Program of China [2007CB209702]; National Natural Science Foundation of China [11004165...
Cataloged from PDF version of article.This paper investigates the adsorption of carbon adatoms on gr...
Film growth is characterized by the making and breaking of chemical bonds. Other interactions such a...
Adsorption of hydrogen atoms on a single graphite sheet (graphene) has been investigated by first-pr...
First-principles total energy calculations are performed to investigate the energetics and electroni...
Doping metallic element(s) serves as an effective approach in enhancing favorable electronic propert...
Nano-sized materials have promising contemporary and novel technological applications as they posses...
First-principles electronic structure calculations based on spin-polarized density functional theory...
We review recent developments on the electronic properties of graphene under the influence of adsorb...
First-principles electronic structure calculations based on spin-polarized density functional theory...
In this paper, we theoretically studied the electronic and magnetic properties of graphene and graph...
The interest in understanding the interaction between graphene and atoms that are adsorbed on its su...
Silicene and germanene derivatives constructed from periodic dumbbell units play a crucial role in m...
Using first-principles density functional theory calculations, we showed that electronic and magneti...
Cataloged from PDF version of article.Based on the first-principles plane wave calculations, we stud...
National 973 Program of China [2007CB209702]; National Natural Science Foundation of China [11004165...
Cataloged from PDF version of article.This paper investigates the adsorption of carbon adatoms on gr...
Film growth is characterized by the making and breaking of chemical bonds. Other interactions such a...
Adsorption of hydrogen atoms on a single graphite sheet (graphene) has been investigated by first-pr...
First-principles total energy calculations are performed to investigate the energetics and electroni...
Doping metallic element(s) serves as an effective approach in enhancing favorable electronic propert...
Nano-sized materials have promising contemporary and novel technological applications as they posses...
First-principles electronic structure calculations based on spin-polarized density functional theory...
We review recent developments on the electronic properties of graphene under the influence of adsorb...
First-principles electronic structure calculations based on spin-polarized density functional theory...
In this paper, we theoretically studied the electronic and magnetic properties of graphene and graph...
The interest in understanding the interaction between graphene and atoms that are adsorbed on its su...
Silicene and germanene derivatives constructed from periodic dumbbell units play a crucial role in m...
Using first-principles density functional theory calculations, we showed that electronic and magneti...