Adsorption of dihalogen molecules on pristine graphene surface: Monte Carlo and molecular dynamics simulation studies

A post-HF study on the halogen bonding interaction of pyrene with diatomic halogen molecules

(2016) Berkay Sütay et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Modelling of graphene functionalization

(2016) Martin Pykal et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Fluorine adsorption on the graphene films: From metal to insulator

(2015) Zongguo Wang et al.   COMPUTATIONAL MATERIALS SCIENCE

Mathematical modeling and physical reality in noncovalent interactions

(2015) Peter Politzer et al.   JOURNAL OF MOLECULAR MODELING

Electronic Properties of Halogen-Adsorbed Graphene

(2015) Chengyong Xu et al.   Journal of Physical Chemistry C

Theoretical Study of Graphene Doping Mechanism by Iodine Molecules

(2015) Damien Tristant et al.   Journal of Physical Chemistry C

Cooperative Interplay of van der Waals Forces and Quantum Nuclear Effects on Adsorption: H at Graphene and at Coronene

(2014) Erlend R. M. Davidson et al.   ACS Nano

Stability of graphene doping with MoO3 and I2

(2014) Lorenzo D'Arsié et al.   APPLIED PHYSICS LETTERS

A post-HF study on the interaction of iodine with small polyaromatic hydrocarbons

(2014) Berkay Sütay et al.   JOURNAL OF MOLECULAR MODELING

Chemical Bonding of Partially Fluorinated Graphene

(2014) Si Zhou et al.   Journal of Physical Chemistry C

Theoretical insight into chlorine adsorption on the Fe(100) surface

(2014) Mohammednoor Altarawneh et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Halogen Bonding: An Interim Discussion

(2013) Peter Politzer et al.   CHEMPHYSCHEM

Molecular dynamics simulation of gas adsorption on defected graphene

(2013) Maryam Kharatha et al.   MOLECULAR PHYSICS

Charge transport in graphene doped with diatomic halogen molecules (I2, Br2) near Dirac point

(2012) Seung Wan Chu et al.   SYNTHETIC METALS

Sticking and desorption of hydrogen on graphite: A comparative study of different models

(2011) Bruno Lepetit et al.   JOURNAL OF CHEMICAL PHYSICS

Understanding the Stabilization of Liquid-Phase-Exfoliated Graphene in Polar Solvents: Molecular Dynamics Simulations and Kinetic Theory of Colloid Aggregation

(2010) Chih-Jen Shih et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A DFT study of halogen atoms adsorbed on graphene layers

(2010) Paulo V C Medeiros et al.   NANOTECHNOLOGY

Adsorption/desorption and electrically controlled flipping of ammonia molecules on graphene

(2010) Shanshan Chen et al.   NEW JOURNAL OF PHYSICS

Adsorption of diatomic halogen molecules on graphene: A van der Waals density functional study

(2010) A. N. Rudenko et al.   PHYSICAL REVIEW B

Practical Chemical Sensors from Chemically Derived Graphene

(2009) Jesse D. Fowler et al.   ACS Nano

Hydrogen adsorption behavior of graphene above critical temperature

(2009) Lai-Peng Ma et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Mild sonochemical exfoliation of bromine-intercalated graphite: a new route towards graphene

(2009) E Widenkvist et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Adsorption ofH2O,NH3, CO,NO2, and NO on graphene: A first-principles study

(2008) O. Leenaerts et al.   PHYSICAL REVIEW B

Role of Electron-Hole Pair Excitations in the Dissociative Adsorption of Diatomic Molecules on Metal Surfaces

(2008) J. I. Juaristi et al.   PHYSICAL REVIEW LETTERS

Measurement of the Elastic Properties and Intrinsic Strength of Monolayer Graphene

(2008) C. Lee et al.   SCIENCE