A DFT study of the interplay between dopants and oxygen functional groups over the graphene basal plane – implications in energy-related applications

Hydrogen storage in carbon nanostructures via spillover

(2016) Darryl S. Pyle et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

A general view on the reactivity of the oxygen-functionalized graphene basal plane

(2016) Ana S. Dobrota et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Stabilization of alkali metal ions interaction with OH-functionalized graphene via clustering of OH groups – implications in charge storage applications

(2016) Ana S. Dobrota et al.   RSC Advances

Oxidized graphene as an electrode material for rechargeable metal-ion batteries – a DFT point of view

(2015) Ana S. Dobrota et al.   ELECTROCHIMICA ACTA

The mechanisms of oxygen reduction reaction on phosphorus doped graphene: A first-principles study

(2015) Xilin Zhang et al.   JOURNAL OF POWER SOURCES

Heteroatom-Doped Graphene-Based Materials for Energy-Relevant Electrocatalytic Processes

(2015) Jingjing Duan et al.   ACS Catalysis

The Effects of a Low-Level Boron, Phosphorus, and Nitrogen Doping on the Oxygen Reduction Activity of Ordered Mesoporous Carbons

(2015) Igor A. Pašti et al.   Electrocatalysis

Synthesis of Phosphorus-Doped Graphene and its Multifunctional Applications for Oxygen Reduction Reaction and Lithium Ion Batteries

(2013) Chenzhen Zhang et al.   ADVANCED MATERIALS

Scalable enhancement of graphene oxide properties by thermally driven phase transformation

(2013) Priyank V. Kumar et al.   Nature Chemistry

Phosphorus-doped graphene nanosheets as efficient metal-free oxygen reduction electrocatalysts

(2013) Rong Li et al.   RSC Advances

Review on Recent Progress in Nitrogen-Doped Graphene: Synthesis, Characterization, and Its Potential Applications

(2012) Haibo Wang et al.   ACS Catalysis

Reversible Hydrogen Storage by Controlled Buckling of Graphene Layers

(2011) Valentina Tozzini et al.   Journal of Physical Chemistry C

Mechanisms of Oxygen Reduction Reaction on Nitrogen-Doped Graphene for Fuel Cells

(2011) Lipeng Zhang et al.   Journal of Physical Chemistry C

Probing the Thermal Deoxygenation of Graphene Oxide Using High-Resolution In Situ X-ray-Based Spectroscopies

(2011) Abhijit Ganguly et al.   Journal of Physical Chemistry C

Synthesis of monolithic graphene–graphite integrated electronics

(2011) Jang-Ung Park et al.   NATURE MATERIALS

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

(2010) Pablo A. Denis   CHEMICAL PHYSICS LETTERS

Tuning the electrocatalytic activity of Pt nanoparticles on carbon nanotubes via surface functionalization

(2010) Shuangyin Wang et al.   ELECTROCHEMISTRY COMMUNICATIONS

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

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

Adsorption of molecular oxygen on doped graphene: Atomic, electronic, and magnetic properties

(2010) Jiayu Dai et al.   PHYSICAL REVIEW B

Stability and dynamics of small molecules trapped on graphene

(2010) Rolf Erni et al.   PHYSICAL REVIEW B

Practical Chemical Sensors from Chemically Derived Graphene

(2009) Jesse D. Fowler 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

Electrochemical Properties of Graphene Paper Electrodes Used in Lithium Batteries

(2009) Caiyun Wang et al.   CHEMISTRY OF MATERIALS

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

(2009) Pablo A. Denis et al.   CHEMPHYSCHEM

Adsorption of hydrogen on boron-doped graphene: A first-principles prediction

(2009) Y. G. Zhou et al.   JOURNAL OF APPLIED PHYSICS

Understanding adsorption of hydrogen atoms on graphene

(2009) Simone Casolo et al.   JOURNAL OF CHEMICAL PHYSICS

On the hydrogen addition to graphene

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

Coordination-Resolved C−C Bond Length and the C 1s Binding Energy of Carbon Allotropes and the Effective Atomic Coordination of the Few-Layer Graphene

(2009) Chang Q. Sun et al.   Journal of Physical Chemistry C

Creation of Individual Vacancies in Carbon Nanotubes by Using an Electron Beam of 1 Å Diameter

(2009) Julio A. Rodriguez-Manzo et al.   NANO LETTERS

Atomic and Electronic Structure of Graphene-Oxide

(2009) K. Andre Mkhoyan et al.   NANO LETTERS

Density functional theory study of graphite oxide for different oxidation levels

(2009) R. J. W. E. Lahaye et al.   PHYSICAL REVIEW B

Nitrogen-Doped Carbon Nanotube Arrays with High Electrocatalytic Activity for Oxygen Reduction

(2009) K. Gong et al.   SCIENCE

Chemical analysis of graphene oxide films after heat and chemical treatments by X-ray photoelectron and Micro-Raman spectroscopy

(2008) Dongxing Yang et al.   CARBON

PtRu Nanoparticles Supported on 1-Aminopyrene-Functionalized Multiwalled Carbon Nanotubes and Their Electrocatalytic Activity for Methanol Oxidation

(2008) Shuangyin Wang et al.   LANGMUIR

Direct Imaging of Lattice Atoms and Topological Defects in Graphene Membranes

(2008) Jannik C. Meyer et al.   NANO LETTERS

Graphene-Based Ultracapacitors

(2008) Meryl D. Stoller et al.   NANO LETTERS

Hydrogen adsorption on boron doped graphene: an ab initio study

(2008) R H Miwa et al.   NANOTECHNOLOGY

Free-standing graphene at atomic resolution

(2008) Mhairi H. Gass et al.   Nature Nanotechnology

Approaching the Dirac Point in High-Mobility Multilayer Epitaxial Graphene

(2008) M. Orlita et al.   PHYSICAL REVIEW LETTERS