Tunable band gap and magnetic ordering by adsorption of molecules on graphene

By J. Berashevich, Tapash Chakraborty. 2009

142 citations recorded by the source corpus.

We have studied the electronic and magnetic properties of graphene and their modification due to the adsorption of water and other gas molecules. Water and gas molecules adsorbed on nanoscale graphene were found to play the role of defects which facilitate the tunability of the bandgap and allow us to control the magnetic ordering of localized states at the edges. The adsorbed molecules push the wavefunctions corresponding to $\alpha$-spin (up) and $\beta$-spin (down) states of graphene to the opposite (zigzag) edges. This breaks the sublattice and molecular point group symmetry that results in opening of a large bandgap. The efficiency of the wavefunction displacement depends strongly on the type of molecules adsorbed

Subfields: Atomic and Molecular Physics, and Optics, Electronic, Optical and Magnetic Materials, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/74112a7c8d26f8d4a378f8993bd15ba3c481f431

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Atomic and Molecular Physics, and Optics

1. Franco Nori
2. Y. Bliokh
3. V. Freilikher
4. Francesc Illas
5. G. Giavaras
6. Francesc Viñes
7. Montserrat Manadé
8. A. Rozhkov

In Electronic, Optical and Magnetic Materials

1. Franco Nori
2. Y. Bliokh
3. V. Freilikher

In Materials Chemistry

1. Jiadan Lin
2. A. Wee
3. Shu Zhong
4. Francesc Illas
5. G. Giavaras
6. Franco Nori
7. H. Mao
8. Y. Bliokh

Citations in the corpus

• Electronic properties of mesoscopic graphene structures: Charge confinement and control of spin and charge transport (2011, background): “Nanoribbons (width ∼15 nm) [19] 200 BN-h/Cu(111) substrate [27] 53/11 SiC substrate [28] 260 External square superlattice [29] 65 Strain engineering [22] 300 Adsorption of molecules [30] 2 × 103 Graphene covered by H2O/NH3 [24] 18/11 30/42 Nanoribbons (width ∼30 nm) [31] 50 Electrical gates [26] 250”
• Manipulating the electronic and chemical properties of graphene via molecular functionalization (2013, background): “This is a major challenge for its practical applications in electronic or optoelectronic devices [84–87].”
• Transition metal adatoms on graphene: A systematic density functional study (2015, background): “In this sense the adsorption of transition metal atoms on graphene is a field of interest due to the possibility of bestowing magnetism [30], differentiating the transport properties of the spin channels [31], or ionizing the adatom by the plugging of a gate”