A first principle study of pristine and BN-doped graphyne family

DFT-based reactivity study of (5,5) armchair boron nitride nanotube (BNNT)

(2013) Soumen Saha et al.   CHEMICAL PHYSICS LETTERS

Electronic and Transport Properties of Unbalanced Sublattice N-Doping in Graphene

(2013) Aurélien Lherbier et al.   NANO LETTERS

Tuning the electronic and optical properties of graphene and boron-nitride quantum dots by molecular charge-transfer interactions: a theoretical study

(2013) Arkamita Bandyopadhyay et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Carbon nanotube functionalization with carboxylic derivatives: a DFT study

(2012) Javad Beheshtian et al.   JOURNAL OF MOLECULAR MODELING

A (T–P) Phase Diagram of Hydrogen Storage on (N4C3H)6Li6

(2012) Ranjita Das et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Isoelectronic Doping of Graphdiyne with Boron and Nitrogen: Stable Configurations and Band Gap Modification

(2012) Hongxia Bu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Graphyne and Graphdiyne: Promising Materials for Nanoelectronics and Energy Storage Applications

(2012) K. Srinivasu et al.   Journal of Physical Chemistry C

Prediction of a new two-dimensional metallic carbon allotrope

(2012) Xin-Quan Wang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Competition for Graphene: Graphynes with Direction-Dependent Dirac Cones

(2012) Daniel Malko et al.   PHYSICAL REVIEW LETTERS

A density functional theory study on acetylene-functionalized BN nanotubes

(2012) Mohammad T. Baei et al.   STRUCTURAL CHEMISTRY

Formaldehyde adsorption on the interior and exterior surfaces of CN nanotubes

(2012) Javad Beheshtian et al.   STRUCTURAL CHEMISTRY

Graphene: Piecing it Together

(2011) Mark H. Rümmeli et al.   ADVANCED MATERIALS

Elastic, Electronic, and Optical Properties of Two-Dimensional Graphyne Sheet

(2011) Jun Kang et al.   Journal of Physical Chemistry C

Construction of Tubular Molecule Aggregations of Graphdiyne for Highly Efficient Field Emission

(2011) Guoxing Li et al.   Journal of Physical Chemistry C

Two-Dimensional Graphene with Structural Defects: Elastic Mean Free Path, Minimum Conductivity, and Anderson Transition

(2011) Aurélien Lherbier et al.   PHYSICAL REVIEW LETTERS

Electronic structure tuning and band gap opening of graphene by hole/electron codoping

(2011) Xiaohui Deng et al.   PHYSICS LETTERS A

Nitrogen and boron doping effects on the electrical conductivity of graphene and nanotube

(2011) Hamze Mousavi et al.   SOLID STATE SCIENCES

A theoretical study of CO adsorption on aluminum nitride nanotubes

(2011) Javad Beheshtian et al.   STRUCTURAL CHEMISTRY

Architecture of graphdiyne nanoscale films

(2010) Guoxing Li et al.   CHEMICAL COMMUNICATIONS

Structural analogues of graphyne family: New types of boron nitride sheets with wide band gap and strong UV absorption

(2010) Xinrui Cao et al.   CHEMICAL PHYSICS LETTERS

Atomic layers of hybridized boron nitride and graphene domains

(2010) Lijie Ci et al.   NATURE MATERIALS

Electronic properties of two-dimensional hydrogenated and semihydrogenated hexagonal boron nitride sheets

(2010) Yanli Wang   Physica Status Solidi-Rapid Research Letters

First-principles study of two- and one-dimensional honeycomb structures of boron nitride

(2009) M. Topsakal et al.   PHYSICAL REVIEW B