A large gap opening of graphene induced by the adsorption of CO on the Al-doped site

A DFT study on the functionalization of a BN nanosheet with PCX, (PC=phenyl carbamate, X=OCH3, CH3, NH2, NO2 and CN)

(2012) Javad Beheshtian et al.   APPLIED SURFACE SCIENCE

Response of Si- and Al-doped graphenes toward HCN: A computational study

(2012) Somayeh F. Rastegar et al.   APPLIED SURFACE SCIENCE

B12N12 Nano-cage as Potential Sensor for NO2 Detection

(2012) Javad Beheshtian et al.   CHINESE JOURNAL OF CHEMICAL PHYSICS

Selective function of Al12N12 nano-cage towards NO and CO molecules

(2012) Javad Beheshtian et al.   COMPUTATIONAL MATERIALS SCIENCE

Adsorption of CO molecule on AlN nanotubes by parallel electric field

(2012) Ali Ahmadi Peyghan et al.   JOURNAL OF MOLECULAR MODELING

Cation-π interaction of alkali metal ions with C24 fullerene: a DFT study

(2012) Morteza Moradi et al.   JOURNAL OF MOLECULAR MODELING

A comparative study on the B12N12, Al12N12, B12P12 and Al12P12 fullerene-like cages

(2011) Javad Beheshtian et al.   JOURNAL OF MOLECULAR MODELING

Si-doped graphene: an ideal sensor for NO- or NO2-detection and metal-free catalyst for N2O-reduction

(2011) Ying Chen et al.   JOURNAL OF MOLECULAR MODELING

Toxic CO detection by B12N12 nanocluster

(2011) Javad Beheshtian et al.   MICROELECTRONICS JOURNAL

A theoretical study of CO adsorption on aluminum nitride nanotubes

(2011) Javad Beheshtian et al.   STRUCTURAL CHEMISTRY

Theoretical study of the electronic properties of fluorographene

(2010) Cristina Nava Contreras et al.   JOURNAL OF MOLECULAR MODELING

Bandgap opening in graphene induced by patterned hydrogen adsorption

(2010) Richard Balog et al.   NATURE MATERIALS

Highly sensitive and selective detection of NO2 using epitaxial graphene on 6H-SiC

(2010) Md.W.K. Nomani et al.   SENSORS AND ACTUATORS B-CHEMICAL

Au Decorated Zinc Oxide Nanowires for CO Sensing

(2009) Rakesh K. Joshi et al.   Journal of Physical Chemistry C

Adsorption of ammonia on graphene

(2009) Hugo E Romero et al.   NANOTECHNOLOGY

Improving gas sensing properties of graphene by introducing dopants and defects: a first-principles study

(2009) Yong-Hui Zhang et al.   NANOTECHNOLOGY

Energy gaps and a zero-field quantum Hall effect in graphene by strain engineering

(2009) F. Guinea et al.   Nature Physics

Hydrocarbon lithography on graphene membranes

(2008) Jannik C. Meyer et al.   APPLIED PHYSICS LETTERS

Graphene Antidot Lattices: Designed Defects and Spin Qubits

(2008) Thomas G. Pedersen et al.   PHYSICAL REVIEW LETTERS

cclib: A library for package-independent computational chemistry algorithms

(2007) Noel M. O'boyle et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY