Theoretical Studies of Oxygen Reactivity of Free-Standing and Supported Boron-Doped Graphene

Charge Carriers Separation at the Graphene/(101) Anatase TiO2Interface

(2016) Lara Ferrighi et al.   Advanced Materials Interfaces

Sulphur-doped graphene as metal-free carbocatalysts for the solventless aerobic oxidation of styrenes

(2015) Amarajothi Dhakshinamoorthy et al.   CATALYSIS COMMUNICATIONS

Metal-free boron-doped graphene for selective electroreduction of carbon dioxide to formic acid/formate

(2015) Narayanaru Sreekanth et al.   CHEMICAL COMMUNICATIONS

Metal-Free Catalysts for Oxygen Reduction Reaction

(2015) Liming Dai et al.   CHEMICAL REVIEWS

Growth Dynamics of Single-Layer Graphene on Epitaxial Cu Surfaces

(2015) Hiroki Ago et al.   CHEMISTRY OF MATERIALS

A Discussion on the Activity Origin in Metal-Free Nitrogen-Doped Carbons For Oxygen Reduction Reaction and their Mechanisms

(2015) Kuang-Hsu Wu et al.   ChemSusChem

Reduced graphene oxide-titania nanocomposite-modified photoanode for efficient dye-sensitized solar cells

(2015) Su Pei Lim et al.   INTERNATIONAL JOURNAL OF ENERGY RESEARCH

Boron-Doped, Nitrogen-Doped, and Codoped Graphene on Cu(111): A DFT + vdW Study

(2015) Lara Ferrighi et al.   Journal of Physical Chemistry C

Oxygen Intercalation of Graphene on Transition Metal Substrate: An Edge-Limited Mechanism

(2015) Liang Ma et al.   Journal of Physical Chemistry Letters

Comparing Graphene Growth on Cu(111) versus Oxidized Cu(111)

(2015) Stefano Gottardi et al.   NANO LETTERS

New insight into the enhanced visible light photocatalytic activity over boron-doped reduced graphene oxide

(2015) Zi-Rong Tang et al.   Nanoscale

van der Waals corrected DFT simulation of adsorption processes on transition-metal surfaces: Xe and graphene on Ni(111)

(2015) Pier Luigi Silvestrelli et al.   PHYSICAL REVIEW B

van der Waals forces in density functional theory: a review of the vdW-DF method

(2015) Kristian Berland et al.   REPORTS ON PROGRESS IN PHYSICS

Sulfur and Nitrogen Co-Doped Graphene for Metal-Free Catalytic Oxidation Reactions

(2015) Xiaoguang Duan et al.   Small

Oxygen reactivity on pure and B-doped graphene over crystalline Cu(111). Effects of the dopant and of the metal support

(2015) Lara Ferrighi et al.   SURFACE SCIENCE

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

(2015) Jingjing Duan et al.   ACS Catalysis

Bifunctional Electrocatalytic Activity of Boron-Doped Graphene Derived from Boron Carbide

(2015) Thazhe Veettil Vineesh et al.   Advanced Energy Materials

Engineering the strain in graphene layers with Au decoration

(2014) Compesh Pannu et al.   APPLIED SURFACE SCIENCE

Graphene Materials and Their Use in Dye-Sensitized Solar Cells

(2014) Joseph D. Roy-Mayhew et al.   CHEMICAL REVIEWS

Doped graphene for metal-free catalysis

(2014) Xiang-Kai Kong et al.   CHEMICAL SOCIETY REVIEWS

Artificial photosynthesis over graphene–semiconductor composites. Are we getting better?

(2014) Min-Quan Yang et al.   CHEMICAL SOCIETY REVIEWS

Heteroatom-doped graphene materials: syntheses, properties and applications

(2014) Xuewan Wang et al.   CHEMICAL SOCIETY REVIEWS

Facile synthesis of boron and nitrogen-doped graphene as efficient electrocatalyst for the oxygen reduction reaction in alkaline media

(2014) Xiao Xu et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Boron-doped graphene as active electrocatalyst for oxygen reduction reaction at a fuel-cell cathode

(2014) Gianluca Fazio et al.   JOURNAL OF CATALYSIS

N-doped graphene as catalysts for oxygen reduction and oxygen evolution reactions: Theoretical considerations

(2014) Mingtao Li et al.   JOURNAL OF CATALYSIS

Surface Chemistry of CO on Ru(0001) under the Confinement of Graphene Cover

(2014) Li Jin et al.   Journal of Physical Chemistry C

Catalytic Mechanisms of Sulfur-Doped Graphene as Efficient Oxygen Reduction Reaction Catalysts for Fuel Cells

(2014) Lipeng Zhang et al.   Journal of Physical Chemistry C

Origin of the Electrocatalytic Oxygen Reduction Activity of Graphene-Based Catalysts: A Roadmap to Achieve the Best Performance

(2014) Yan Jiao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Straining Graphene Using Thin Film Shrinkage Methods

(2014) Hiroki Shioya et al.   NANO LETTERS

An electronic structure perspective of graphene interfaces

(2014) Brian J. Schultz et al.   Nanoscale

High-performance Ag–Co alloy catalysts for electrochemical oxygen reduction

(2014) Adam Holewinski et al.   Nature Chemistry

The structure, morphology and photocatalytic activity of graphene–TiO2 multilayer films and charge transfer at the interface

(2014) Xiaoyu Liu et al.   NEW JOURNAL OF CHEMISTRY

Benchmarking van der Waals functionals with noncontact RPA calculations on graphene-Ag(111)

(2014) Ivor Lončarić et al.   PHYSICAL REVIEW B

Graphene cover-promoted metal-catalyzed reactions

(2014) Yunxi Yao et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Single and Multiple Doping in Graphene Quantum Dots: Unraveling the Origin of Selectivity in the Oxygen Reduction Reaction

(2014) Marco Favaro et al.   ACS Catalysis

Synergistic effect on the visible light activity of Ti3+ doped TiO2 nanorods/boron doped graphene composite

(2014) Mingyang Xing et al.   Scientific Reports

Highly-dispersed Boron-doped Graphene Nanosheets Loaded with TiO2 Nanoparticles for Enhancing CO2 Photoreduction

(2014) Mingyang Xing et al.   Scientific Reports

General approach to understanding the electronic structure of graphene on metals

(2014) E N Voloshina et al.   Materials Research Express

Enhanced Room-Temperature Corrosion of Copper in the Presence of Graphene

(2013) Feng Zhou et al.   ACS Nano

Two-Step Boron and Nitrogen Doping in Graphene for Enhanced Synergistic Catalysis

(2013) Yao Zheng et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Microscopic View on a Chemical Vapor Deposition Route to Boron-Doped Graphene Nanostructures

(2013) Mattia Cattelan et al.   CHEMISTRY OF MATERIALS

Doped Graphene as a Metal-Free Carbocatalyst for the Selective Aerobic Oxidation of Benzylic Hydrocarbons, Cyclooctane and Styrene

(2013) Amarajothi Dhakshinamoorthy et al.   CHEMISTRY-A EUROPEAN JOURNAL

Boosting Graphene Reactivity with Oxygen by Boron Doping: Density Functional Theory Modeling of the Reaction Path.

(2013) Lara Ferrighi et al.   Journal of Physical Chemistry C

Anab initiostudy of oxygen on strained graphene

(2013) Manh-Thuong Nguyen   JOURNAL OF PHYSICS-CONDENSED MATTER

Recent progress in doped carbon nanomaterials as effective cathode catalysts for fuel cell oxygen reduction reaction

(2013) Zhi Yang et al.   JOURNAL OF POWER SOURCES

Observing Graphene Grow: Catalyst–Graphene Interactions during Scalable Graphene Growth on Polycrystalline Copper

(2013) Piran R. Kidambi et al.   NANO LETTERS

Local Atomic and Electronic Structure of Boron Chemical Doping in Monolayer Graphene

(2013) Liuyan Zhao et al.   NANO LETTERS

Weak mismatch epitaxy and structural Feedback in graphene growth on copper foil

(2013) Neil R. Wilson et al.   Nano Research

Rotated domains in chemical vapor deposition-grown monolayer graphene on Cu(111): an angle-resolved photoemission study

(2013) Cheolho Jeon et al.   Nanoscale

Recent progress in graphene-based nanomaterials as advanced electrocatalysts towards oxygen reduction reaction

(2013) Chengzhou Zhu et al.   Nanoscale

Three-dimensional B,N-doped graphene foam as a metal-free catalyst for oxygen reduction reaction

(2013) Yuhua Xue et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Random phase approximation applied to solids, molecules, and graphene-metal interfaces: From van der Waals to covalent bonding

(2013) Thomas Olsen et al.   PHYSICAL REVIEW B

Synthesis of Boron-Doped Graphene Monolayers Using the Sole Solid Feedstock by Chemical Vapor Deposition

(2013) Huan Wang et al.   Small

A First-Principles Study of the Role of Quaternary-N Doping on the Oxygen Reduction Reaction Activity and Selectivity of Graphene Edge Sites

(2013) Xiaoguang Bao et al.   TOPICS IN CATALYSIS

Enhanced Photocatalytic Activity of Chemically Bonded TiO2/Graphene Composites Based on the Effective Interfacial Charge Transfer through the C–Ti Bond

(2013) Qingwu Huang et al.   ACS Catalysis

B, N- and P, N-doped graphene as highly active catalysts for oxygen reduction reactions in acidic media

(2013) Chang Hyuck Choi et al.   Journal of Materials Chemistry A

Binary and Ternary Doping of Nitrogen, Boron, and Phosphorus into Carbon for Enhancing Electrochemical Oxygen Reduction Activity

(2012) Chang Hyuck Choi et al.   ACS Nano

Raman Spectroscopy of Boron-Doped Single-Layer Graphene

(2012) Yoong Ahm Kim et al.   ACS Nano

Oxygen Intercalation under Graphene on Ir(111): Energetics, Kinetics, and the Role of Graphene Edges

(2012) Elin Grånäs et al.   ACS Nano

Visualizing Chemical Reactions Confined under Graphene

(2012) Rentao Mu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The Oxygen Reduction Reaction on Nitrogen-Doped Graphene

(2012) Felix Studt   CATALYSIS LETTERS

Electronic properties of boron- and nitrogen-doped graphene: a first principles study

(2012) Sugata Mukherjee et al.   JOURNAL OF NANOPARTICLE RESEARCH

3D Nitrogen-Doped Graphene Aerogel-Supported Fe3O4 Nanoparticles as Efficient Electrocatalysts for the Oxygen Reduction Reaction

(2012) Zhong-Shuai Wu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

An oxygen reduction electrocatalyst based on carbon nanotube–graphene complexes

(2012) Yanguang Li et al.   Nature Nanotechnology

Nitrogen and boron doped monolayer graphene by chemical vapor deposition using polystyrene, urea and boric acid

(2012) Tianru Wu et al.   NEW JOURNAL OF CHEMISTRY

The positive influence of boron-doped graphene for its supported Au clusters: enhancement of SERS and oxygen molecule adsorption

(2012) Xiangkai Kong et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Graphene on metallic surfaces: problems and perspectives

(2012) Elena Voloshina et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Graphene on metal surfaces and its hydrogen adsorption: A meta-GGA functional study

(2012) Mie Andersen et al.   PHYSICAL REVIEW B

Domain formation on oxidized graphene

(2012) M. Topsakal et al.   PHYSICAL REVIEW B

Second generation graphene: Opportunities and challenges for surface science

(2012) Stefano Agnoli et al.   SURFACE SCIENCE

The surface science of graphene: Metal interfaces, CVD synthesis, nanoribbons, chemical modifications, and defects

(2012) Matthias Batzill   SURFACE SCIENCE REPORTS

Nitrogen-Doped Graphene Nanosheets as Metal-Free Catalysts for Aerobic Selective Oxidation of Benzylic Alcohols

(2012) Jinlin Long et al.   ACS Catalysis

Graphene layers on Cu and Ni (111) surfaces in layer controlled graphene growth

(2012) Qiang Wang et al.   RSC Advances

Graphene-based semiconductor photocatalysts

(2011) Quanjun Xiang et al.   CHEMICAL SOCIETY REVIEWS

High oxygen-reduction activity and durability of nitrogen-doped graphene

(2011) Dongsheng Geng et al.   Energy & Environmental Science

Oxygen reduction reaction mechanism on nitrogen-doped graphene: A density functional theory study

(2011) Liang Yu et al.   JOURNAL OF CATALYSIS

Synthesis of boron doped graphene for oxygen reduction reaction in fuel cells

(2011) Zhen-Huan Sheng et al.   JOURNAL OF MATERIALS CHEMISTRY

Effect of Shuttling Catalyst on the Migration of Hydrogen Adatoms: A Strategy for the Facile Hydrogenation of Graphene

(2011) Sang Soo Han et al.   Journal of Physical Chemistry C

Surface Precursors and Reaction Mechanisms for the Thermal Reduction of Graphene Basal Surfaces Oxidized by Atomic Oxygen

(2011) Tao Sun et al.   Journal of Physical Chemistry C

Dual Path Mechanism in the Thermal Reduction of Graphene Oxide

(2011) Rosanna Larciprete et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Nitrogen-Doped Graphene Quantum Dots with Oxygen-Rich Functional Groups

(2011) Yan Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

INVESTIGATION OF HOMOLOGOUS SERIES AS PRECURSORY HYDROCARBONS FOR ALIGNED CARBON NANOTUBE FORMATION BY THE SPRAY PYROLYSIS METHOD

(2011) ZHI YANG et al.   NANO

Nitrogen-Doped Graphene: Efficient Growth, Structure, and Electronic Properties

(2011) D. Usachov et al.   NANO LETTERS

Raman spectroscopy of the internal strain of a graphene layer grown on copper tuned by chemical vapor deposition

(2011) V. Yu et al.   PHYSICAL REVIEW B

Electronic structure of graphene on single-crystal copper substrates

(2011) Andrew L. Walter et al.   PHYSICAL REVIEW B

Fingerprints of Dirac points in first-principles calculations of scanning tunneling spectra of graphene on a metal substrate

(2011) J. Sławińska et al.   PHYSICAL REVIEW B

Dispersive and Covalent Interactions between Graphene and Metal Surfaces from the Random Phase Approximation

(2011) Thomas Olsen et al.   PHYSICAL REVIEW LETTERS

Nitrogen-Doped Graphene as Efficient Metal-Free Electrocatalyst for Oxygen Reduction in Fuel Cells

(2010) Liangti Qu et al.   ACS Nano

Graphene Oxide as Catalyst: Application of Carbon Materials beyond Nanotechnology

(2010) Jeffrey Pyun   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Theoretical Studies of Potential-Dependent and Competing Mechanisms of the Electrocatalytic Oxygen Reduction Reaction on Pt(111)

(2010) John A. Keith et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

A facile preparation route for boron-doped graphene, and its CdTe solar cell application

(2010) Tianquan Lin et al.   Energy & Environmental Science

Density functional theory study of BN-doped graphene superlattice: Role of geometrical shape and size

(2010) B. Xu et al.   JOURNAL OF APPLIED PHYSICS

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

Nitrogen-doped graphene and its electrochemical applications

(2010) Yuyan Shao et al.   JOURNAL OF MATERIALS CHEMISTRY

Interface structure and mechanics between graphene and metal substrates: a first-principles study

(2010) Zhiping Xu et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Chemistry under Cover: Tuning Metal−Graphene Interaction by Reactive Intercalation

(2010) Peter Sutter et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Epitaxial Graphene on Cu(111)

(2010) Li Gao et al.   NANO LETTERS

Large, Solution-Processable Graphene Quantum Dots as Light Absorbers for Photovoltaics

(2010) Xin Yan et al.   NANO LETTERS

Effect of noble-metal contacts on doping and band gap of graphene

(2010) A. Varykhalov et al.   PHYSICAL REVIEW B

Graphene on metals: A van der Waals density functional study

(2010) M. Vanin et al.   PHYSICAL REVIEW B

Van der Waals density functional: An appropriate exchange functional

(2010) Valentino R. Cooper   PHYSICAL REVIEW B

Higher-accuracy van der Waals density functional

(2010) Kyuho Lee et al.   PHYSICAL REVIEW B

Comparative van der Waals density-functional study of graphene on metal surfaces

(2010) Ikutaro Hamada et al.   PHYSICAL REVIEW B

Oxidation functional groups on graphene: Structural and electronic properties

(2010) Jia-An Yan et al.   PHYSICAL REVIEW B

Multilayer Hybrid Films Consisting of Alternating Graphene and Titania Nanosheets with Ultrafast Electron Transfer and Photoconversion Properties

(2009) Kiran Kumar Manga et al.   ADVANCED FUNCTIONAL MATERIALS

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Chemical accuracy for the van der Waals density functional

(2009) Jiří Klimeš et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

First-principles study of the interaction and charge transfer between graphene and metals

(2009) P. A. Khomyakov et al.   PHYSICAL REVIEW B

Large-Area Synthesis of High-Quality and Uniform Graphene Films on Copper Foils

(2009) X. Li et al.   SCIENCE

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

(2009) K. Gong et al.   SCIENCE

Graphene on metal surfaces

(2009) J. Wintterlin et al.   SURFACE SCIENCE

A possible source of spin-polarized electrons: The inert graphene/Ni(111) system

(2008) Yu. S. Dedkov et al.   APPLIED PHYSICS LETTERS

Surface Pourbaix diagrams and oxygen reduction activity of Pt, Ag and Ni(111) surfaces studied by DFT

(2008) Heine A. Hansen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS