Non-covalent functionalization of single wall carbon nanotubes and graphene by a conjugated polymer

Molecular dynamics simulation of adsorption of pyrene–polyethylene glycol onto graphene

(2013) Liyan Xu et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Density functional theory study of epoxy polymer chains adsorbing onto single-walled carbon nanotubes: electronic and mechanical properties

(2013) Morteza Ghorbanzadeh Ahangari et al.   JOURNAL OF MOLECULAR MODELING

A new polymeric binder for silicon-carbon nanotube composites in lithium ion battery

(2013) Joonwon Bae et al.   MACROMOLECULAR RESEARCH

Interactions of polymers with reduced graphene oxide: van der Waals binding energies of benzene on graphene with defects

(2013) Mohamed Hassan et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Light harvesting with non covalent carbon nanotube/porphyrin compounds

(2012) C. Roquelet et al.   CHEMICAL PHYSICS

Physisorption of nucleobases on graphene: a comparative van der Waals study

(2012) Duy Le et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Empirical evaluation of attractive van der Waals potentials for type-purified single-walled carbon nanotubes

(2012) Erik K. Hobbie et al.   PHYSICAL REVIEW B

Increased dispersion and solubility of carbon nanotubes noncovalently modified by the polysaccharide biopolymer, chitosan: MD simulations

(2011) Thanyada Rungrotmongkol et al.   CHEMICAL PHYSICS LETTERS

Effect of the damping function in dispersion corrected density functional theory

(2011) Stefan Grimme et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

A possible anticancer drug delivery system based on carbon nanotube–dendrimer hybrid nanomaterials

(2011) Ebrahim Mehdipoor et al.   JOURNAL OF MATERIALS CHEMISTRY

Functionalization of reduced graphene oxide nanosheets via stacking interactions with the fluorescent and water-soluble perylene bisimide-containing polymers

(2011) Li Qun Xu et al.   POLYMER

DNA insertion in and wrapping around carbon nanotubes

(2011) Flavio F. Contreras-Torres et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Increasing the electrical conductivity of carbon nanotube/polymer composites by using weak nanotube–polymer interactions

(2010) You Zeng et al.   CARBON

Dispersion of multi-walled carbon nanotubes in an aqueous medium by water-dispersible conjugated polymer nanoparticles

(2010) Beril Baykal et al.   CHEMICAL COMMUNICATIONS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Solubilizing Carbon Nanotubes through Noncovalent Functionalization. Insight from the Reversible Wrapping of Alginic Acid around a Single-Walled Carbon Nanotube

(2010) Yingzhe Liu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Understanding the Helical Wrapping of Poly(3-hexylthiophene) on Carbon Nanotubes

(2010) Claudia Caddeo et al.   Journal of Physical Chemistry C

Adsorption of Aromatic and Anti-Aromatic Systems on Graphene through π−π Stacking

(2010) Jonas Björk et al.   Journal of Physical Chemistry Letters

Graphene/Polymer Nanocomposites

(2010) Hyunwoo Kim et al.   MACROMOLECULES

Iron porphyrin attached to single-walled carbon nanotubes: Electronic and dynamical properties fromab initiocalculations

(2010) Igor Ruiz-Tagle et al.   PHYSICAL REVIEW B

Graphene-based polymer nanocomposites

(2010) Jeffrey R. Potts et al.   POLYMER

Molecular-Level Dispersion of Graphene into Poly(vinyl alcohol) and Effective Reinforcement of their Nanocomposites

(2009) Jiajie Liang et al.   ADVANCED FUNCTIONAL MATERIALS

Ultrasmooth, Large-Area, High-Uniformity, Conductive Transparent Single-Walled-Carbon-Nanotube Films for Photovoltaics Produced by Ultrasonic Spraying

(2009) Robert C. Tenent et al.   ADVANCED MATERIALS

Recent Advances in Research on Carbon Nanotube-Polymer Composites

(2009) Michele T. Byrne et al.   ADVANCED MATERIALS

Non-covalent functionalization of graphene sheets by sulfonated polyaniline

(2009) Hua Bai et al.   CHEMICAL COMMUNICATIONS

An efficient algorithm for the density-functional theory treatment of dispersion interactions

(2009) Jürgen Gräfenstein et al.   JOURNAL OF CHEMICAL PHYSICS

Helical Wrapping of Single-Walled Carbon Nanotubes by Water Soluble Poly(p-phenyleneethynylene)

(2009) Youn K. Kang et al.   NANO LETTERS

Observation of a Type II Heterojunction in a Highly Ordered Polymer−Carbon Nanotube Nanohybrid Structure

(2009) Torben Schuettfort et al.   NANO LETTERS

Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data

(2009) Alexandre Tkatchenko et al.   PHYSICAL REVIEW LETTERS

Graphene: Status and Prospects

(2009) A. K. Geim   SCIENCE

Dispersion of Pristine Carbon Nanotubes Using Conjugated Block Copolymers

(2008) Jianhua Zou et al.   ADVANCED MATERIALS

Interactions between tripodal porphyrin hosts and single walled carbon nanotubes: an experimental and theoretical (DFT) account

(2008) Sofia I. Pascu et al.   JOURNAL OF MATERIALS CHEMISTRY

B3LYP augmented with an empirical dispersion term (B3LYP-D*) as applied to molecular crystals

(2007) Bartolomeo Civalleri et al.   CRYSTENGCOMM