Adsorption of H2S at Stone–Wales defects of graphene-like BC3: a computational study

Understanding dopant and defect effect on H2S sensing performances of graphene: A first-principles study

(2013) Yong-Hui Zhang et al.   COMPUTATIONAL MATERIALS SCIENCE

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

(2013) Ali Ahmadi Peyghan et al.   JOURNAL OF MOLECULAR MODELING

Effects of Al Doping and Double-Antisite Defect on the Adsorption of HCN on a BC2N Nanotube: Density Functional Theory Studies

(2013) Ali Ahmadi Peyghan et al.   Journal of Physical Chemistry C

DFT studies of Si- and Al-doping effects on the acetone sensing properties of BC3 graphene

(2013) Morteza Moradi et al.   MOLECULAR PHYSICS

A theoretical study of H2S adsorption on graphene doped with B, Al and Ga

(2013) Sheetal Sharma et al.   PHYSICA B-CONDENSED MATTER

Sensing behavior of Al and Si doped BC3 graphenes to formaldehyde

(2013) Javad Beheshtian et al.   SENSORS AND ACTUATORS B-CHEMICAL

Recent developments on graphene and graphene oxide based solid state gas sensors

(2012) S. Basu et al.   SENSORS AND ACTUATORS B-CHEMICAL

Increasing the B/N ratio in boron nitride nanoribbons, a possible approach to dilute magnetic semiconductors

(2011) Frank J. Owens   MOLECULAR PHYSICS

Adsorption of the insensitive explosive TATB on single-walled carbon nanotubes

(2011) Luoxin Wang et al.   MOLECULAR PHYSICS

Structural and electronic properties of hydrogen adsorptions on BC3sheet and graphene: a comparative study

(2011) Feng-Chuan Chuang et al.   NANOTECHNOLOGY

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

Electronic structures of BC3 nanoribbons

(2009) Yi Ding et al.   APPLIED PHYSICS LETTERS

Tuning Electronic Properties of Hydro-Boron−Carbon Compounds by Hydrogen and Boron Contents: A First Principles Study

(2009) Yi Ding et al.   Journal of Physical Chemistry C

Adsorption of ammonia on graphene

(2009) Hugo E Romero et al.   NANOTECHNOLOGY

Barrier-free substitutional doping of graphene sheets with boron atoms:Ab initiocalculations

(2009) Renato B. Pontes et al.   PHYSICAL REVIEW B

Stone−Wales Defects in Single-Walled Boron Nitride Nanotubes:  Formation Energies, Electronic Structures, and Reactivity

(2008) Yafei Li et al.   Journal of Physical Chemistry C

cclib: A library for package-independent computational chemistry algorithms

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