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

Quantum chemical study of fluorinated AlN nano-cage

(2012) Javad Beheshtian et al.   APPLIED SURFACE SCIENCE

B12N12 Nano-cage as Potential Sensor for NO2 Detection

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

Detection of phosgene by Sc-doped BN nanotubes: A DFT study

(2012) Javad Beheshtian et al.   SENSORS AND ACTUATORS B-CHEMICAL

DFT studies of the phenol adsorption on boron nitride sheets

(2011) Jose Mario Galicia Hernández et al.   JOURNAL OF MOLECULAR MODELING

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

(2011) Frank J. Owens   MOLECULAR PHYSICS

Melting behaviour of gold nanowires in carbon nanotubes

(2011) B.E. Zhu et al.   MOLECULAR PHYSICS

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

(2011) Luoxin Wang et al.   MOLECULAR PHYSICS

A review on technological aspects influencing commercialization of carbon nanotube sensors

(2011) D.W.H. Fam et al.   SENSORS AND ACTUATORS B-CHEMICAL

Selective acetone gas sensors using porous WO3–Cr2O3 thin films prepared by sol–gel method

(2011) Peng Gao et al.   THIN SOLID FILMS

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

Gas adsorption on graphene doped with B, N, Al, and S: A theoretical study

(2009) Jiayu Dai 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

Band gap tuning in nanodiamonds: first principle computational studies

(2009) Andrey A. Fokin et al.   MOLECULAR PHYSICS

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

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

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

Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections

(2008) Jeng-Da Chai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

cclib: A library for package-independent computational chemistry algorithms

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