On the Addition of Aryl Radicals to Graphene: The Importance of Nonbonded Interactions

Chemical Reactivity of Electron-Doped and Hole-Doped Graphene

(2013) Pablo A. Denis   Journal of Physical Chemistry C

Cooperative behavior in functionalized graphene: Explaining the occurrence of 1,3 cycloaddition of azomethine ylides onto graphene

(2012) Pablo A. Denis et al.   CHEMICAL PHYSICS LETTERS

A First-Principles Study on the Interaction between Alkyl Radicals and Graphene

(2012) Pablo A. Denis et al.   CHEMISTRY-A EUROPEAN JOURNAL

[2 + 2] Cycloadditions onto graphene

(2012) Pablo A. Denis et al.   JOURNAL OF MATERIALS CHEMISTRY

Spin-Polarized Semiconductors: Tuning the Electronic Structure of Graphene by Introducing a Regular Pattern of sp3Carbons on the Graphene Plane

(2012) Long Jing et al.   Small

Electrochemistry: An Efficient Way to Chemically Modify Individual Monolayers of Graphene

(2012) Lin Gan et al.   Small

Graphene Covalently Binding Aryl Groups: Conductivity Increases Rather than Decreases

(2011) Ping Huang et al.   ACS Nano

Dispersion corrections in the boron buckyball and nanotubes

(2011) Rosi N. Gunasinghe et al.   APPLIED PHYSICS LETTERS

When noncovalent interactions are stronger than covalent bonds: Bilayer graphene doped with second row atoms, aluminum, silicon, phosphorus and sulfur

(2011) Pablo A. Denis   CHEMICAL PHYSICS LETTERS

Interactions between free radicals and a graphene fragment: Physical versus chemical bonding, charge transfer, and deformation

(2011) Fengting T. Wang et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Chemical Reactivity of Lithium Doped Monolayer and Bilayer Graphene

(2011) Pablo A. Denis   Journal of Physical Chemistry C

Electronic Properties of Cycloaddition-Functionalized Graphene

(2011) Kelvin Suggs et al.   Journal of Physical Chemistry C

Theoretical study on electronic structures and spectroscopic regularities of ethylated single-walled carbon nanotubes

(2011) Y. Yu et al.   Russian Journal of Physical Chemistry A

Structural and Electronic Properties of Fluorographene

(2011) Duminda K. Samarakoon et al.   Small

Kinetics of Diazonium Functionalization of Chemically Converted Graphene Nanoribbons

(2010) Alexander Sinitskii et al.   ACS Nano

Band gap opening of monolayer and bilayer graphene doped with aluminium, silicon, phosphorus, and sulfur

(2010) Pablo A. Denis   CHEMICAL PHYSICS LETTERS

Water-Soluble Graphite Nanoplatelets Formed by Oleum Exfoliation of Graphite

(2010) Arnab Mukherjee et al.   CHEMISTRY OF MATERIALS

Thiophene adsorption on Single Wall Carbon Nanotubes and graphene

(2010) Pablo A. Denis et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

First-Principle Study of Hydroxyl Functional Groups on Pristine, Defected Graphene, and Graphene Epoxide

(2010) Nahid Ghaderi et al.   Journal of Physical Chemistry C

Monolayer and Bilayer Graphene Functionalized with Nitrene Radicals

(2010) Pablo A. Denis et al.   Journal of Physical Chemistry C

First-principles investigation of bilayer graphene with intercalated C, N or O atoms

(2010) S J Gong et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

A systematic study of electronic structure from graphene tographane

(2010) Prachi Chandrachud et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Modulating the electronic and magnetic structures of P-doped graphene by molecule doping

(2010) Jiayu Dai et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Anomalously Large Reactivity of Single Graphene Layers and Edges toward Electron Transfer Chemistries

(2010) Richa Sharma et al.   NANO LETTERS

Energy Gaps in Supramolecular Functionalized Graphene Nanoribbons

(2009) Alexis Nduwimana et al.   ACS Nano

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

(2009) Jiayu Dai et al.   APPLIED PHYSICS LETTERS

Theoretical evidence for a two-step mechanism in the functionalization single-walled carbon nanotube by aryl diazonium salts: Comparing effect of different substituent group

(2009) Hongming Wang et al.   CHEMICAL PHYSICS LETTERS

Is It Possible to Dope Single-Walled Carbon Nanotubes and Graphene with Sulfur?

(2009) Pablo A. Denis et al.   CHEMPHYSCHEM

On the hydrogen addition to graphene

(2009) Pablo A. Denis et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Ab Initio Study of Carboxylated Graphene

(2009) Nabil Al-Aqtash et al.   Journal of Physical Chemistry C

Density Functional Investigation of Thioepoxidated and Thiolated Graphene

(2009) Pablo A. Denis   Journal of Physical Chemistry C

Chemical Modification of Epitaxial Graphene: Spontaneous Grafting of Aryl Groups

(2009) Elena Bekyarova et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Photochemical Reactivity of Graphene

(2009) Haitao Liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Thermal stability of interaction between the CO molecules and the Al doped graphene

(2009) Z. M. Ao et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Enhancement of CO detection in Al doped graphene

(2008) Z.M. Ao et al.   CHEMICAL PHYSICS LETTERS

Diazonium Functionalization of Surfactant-Wrapped Chemically Converted Graphene Sheets

(2008) Jay R. Lomeda et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Chemical Doping and Electron−Hole Conduction Asymmetry in Graphene Devices

(2008) Damon B. Farmer et al.   NANO LETTERS