Atomistic insights into the protection failure of the graphene coating under the hyperthermal impacts of reactive oxygen species: ReaxFF-based molecular dynamics simulations

Challenges for continuous graphene as a corrosion barrier

(2019) L Camilli et al.   2D Materials

The impact of defect density, grain size, and Cu orientation on thermal oxidation of graphene-coated Cu

(2019) Katherine T. Young et al.   APPLIED SURFACE SCIENCE

Highlighting the Dynamics of Graphene Protection toward the Oxidation of Copper Under Operando Conditions

(2019) Mattia Scardamaglia et al.   ACS Applied Materials & Interfaces

Graphene-Subgrain-Defined Oxidation of Copper

(2019) Birong Luo et al.   ACS Applied Materials & Interfaces

Barrier mechanism of multilayers graphene coated copper against atomic oxygen irradiation

(2018) Haijing Zhang et al.   APPLIED SURFACE SCIENCE

N-doping of graphene: toward long-term corrosion protection of Cu

(2018) Siming Ren et al.   Journal of Materials Chemistry A

Corrosion mechanism of graphene coating with different defect levels

(2018) Yinghao Wu et al.   JOURNAL OF ALLOYS AND COMPOUNDS

A cautionary note on graphene anti-corrosion coatings

(2017) Chenlong Cui et al.   Nature Nanotechnology

Atomistic-scale simulations of the chemomechanical behavior of graphene under nanoprojectile impact

(2016) Kichul Yoon et al.   CARBON

Oxidation of nickel surfaces through the energetic impacts of oxygen molecules: Reactive molecular dynamics simulations

(2016) Negar Amiri et al.   JOURNAL OF CHEMICAL PHYSICS

Atomistic-Scale Analysis of Carbon Coating and Its Effect on the Oxidation of Aluminum Nanoparticles by ReaxFF-Molecular Dynamics Simulations

(2016) Sungwook Hong et al.   Journal of Physical Chemistry C

First-Principles Study of the Role of O2 and H2O in the Decoupling of Graphene on Cu(111)

(2016) Kester Wong et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Molecular dynamics simulations of the effects of vacancies on nickel self-diffusion, oxygen diffusion and oxidation initiation in nickel, using the ReaxFF reactive force field

(2015) Chenyu Zou et al.   ACTA MATERIALIA

Direction dependent etching of diamond surfaces by hyperthermal atomic oxygen: A ReaxFF based molecular dynamics study

(2015) Sriram Goverapet Srinivasan et al.   CARBON

The Structural Stability of Graphene Anticorrosion Coating Materials is Compromised at Low Potentials

(2015) Adriano Ambrosi et al.   CHEMISTRY-A EUROPEAN JOURNAL

Graphene as an anti-corrosion coating layer

(2015) Line Kyhl et al.   FARADAY DISCUSSIONS

Development of a ReaxFF Potential for Carbon Condensed Phases and Its Application to the Thermal Fragmentation of a Large Fullerene

(2015) Sriram Goverapet Srinivasan et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Long-Term Passivation of Strongly Interacting Metals with Single-Layer Graphene

(2015) Robert S. Weatherup et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Graphene as an anti-corrosion coating layer

(2015) Line Kyhl et al.   FARADAY DISCUSSIONS

Graphene: a multipurpose material for protective coatings

(2015) Md J. Nine et al.   Journal of Materials Chemistry A

Graphene–nickel interfaces: a review

(2014) Arjun Dahal et al.   Nanoscale

Impermeable barrier films and protective coatings based on reduced graphene oxide

(2014) Y. Su et al.   Nature Communications

Complete Corrosion Inhibition through Graphene Defect Passivation

(2013) Ya-Ping Hsieh et al.   ACS Nano

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

(2013) Feng Zhou et al.   ACS Nano

Graphene as a Long-Term Metal Oxidation Barrier: Worse Than Nothing

(2013) Maria Schriver et al.   ACS Nano

Large Scale Computational Chemistry Modeling of the Oxidation of Highly Oriented Pyrolytic Graphite

(2013) Savio Poovathingal et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Breakdown of the Graphene Coating Effect under Sequential Exposure to O2 and H2S

(2013) Louis Nilsson et al.   Journal of Physical Chemistry Letters

Graphene: Corrosion-Inhibiting Coating

(2012) Dhiraj Prasai et al.   ACS Nano

Graphene Coatings: Probing the Limits of the One Atom Thick Protection Layer

(2012) Louis Nilsson et al.   ACS Nano

Structure identification methods for atomistic simulations of crystalline materials

(2012) Alexander Stukowski   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Thermal stability of multilayer graphene films synthesized by chemical vapor deposition and stained by metallic impurities

(2012) Yung Ho Kahng et al.   NANOTECHNOLOGY

Graphene coatings: An efficient protection from oxidation

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

Unimpeded Permeation of Water Through Helium-Leak-Tight Graphene-Based Membranes

(2012) R. R. Nair et al.   SCIENCE

Oxidation Resistance of Graphene-Coated Cu and Cu/Ni Alloy

(2011) Shanshan Chen et al.   ACS Nano

Molecular-Dynamics-Based Study of the Collisions of Hyperthermal Atomic Oxygen with Graphene Using the ReaxFF Reactive Force Field

(2011) Sriram Goverapet Srinivasan et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Micrometer-Scale Ballistic Transport in Encapsulated Graphene at Room Temperature

(2011) Alexander S. Mayorov et al.   NANO LETTERS

Thermal properties of graphene and nanostructured carbon materials

(2011) Alexander A. Balandin   NATURE MATERIALS

Monolayer graphene as ultimate chemical passivation layer for arbitrarily shaped metal surfaces

(2010) Eli Sutter et al.   CARBON

Development and Validation of ReaxFF Reactive Force Field for Hydrocarbon Chemistry Catalyzed by Nickel

(2010) Jonathan E. Mueller et al.   Journal of Physical Chemistry C

Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool

(2009) Alexander Stukowski   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Evolution of Graphene Growth on Ni and Cu by Carbon Isotope Labeling

(2009) Xuesong Li et al.   NANO LETTERS

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

(2009) X. Li et al.   SCIENCE

Thermal stability studies of CVD-grown graphene nanoribbons: Defect annealing and loop formation

(2008) J. Campos-Delgado et al.   CHEMICAL PHYSICS LETTERS

ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation

(2008) Kimberly Chenoweth et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Impermeable Atomic Membranes from Graphene Sheets

(2008) J. Scott Bunch et al.   NANO LETTERS

Large Area, Few-Layer Graphene Films on Arbitrary Substrates by Chemical Vapor Deposition

(2008) Alfonso Reina et al.   NANO LETTERS

Free-standing graphene at atomic resolution

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

Fine Structure Constant Defines Visual Transparency of Graphene

(2008) R. R. Nair et al.   SCIENCE

Measurement of the Elastic Properties and Intrinsic Strength of Monolayer Graphene

(2008) C. Lee et al.   SCIENCE