Configuration Dependency of Attached Epoxy Groups on Graphene Oxide Reduction: A Molecular Dynamics Simulation

スポンサーリンク

概要

• 論文の詳細を見る

• The atomic behavior of epoxy groups on a graphene oxide sheet was observed during high thermal heat annealing using a reactive force-field based on molecular dynamics simulations. We found the oxygen-containing functional groups interplay with each other and desorbed from the graphene oxide sheet by a form of O2 gas if they were initially in close distance. Through comparing reduction results of graphene oxide with different densities of the nearest neighboring epoxy pairs, we confirmed that the amount of released O2 gas has a clear tendency to increase with a higher density of epoxy pairs in close distance on a graphene oxide sheet.

• 2012-06-25

著者

• Chung Yong-chae

  Department Of Ceramic Engineering Hanyang University

• Lee Minho

  Department Of Electronics Kyungpook National University

• Cho Sung

  Department Of Anatomy Seoul National University College Of Medicine

• Yoo Dong

  Department Of Chemical Engineering Polymer Technology Institute Sungkyunkwan University

• Choi Heechae

  Department of Materials Science and Engineering, Hanyang University, Seoul 133-791, Republic of Korea

• Choi Heechae

  Department of Materials Science and Engineering, Hanyang University, Seoul 133-791, Korea

• Yun Kyung-Han

  Department of Materials Science and Engineering, Hanyang University, Seoul 133-791, Republic of Korea

• Lee Eung-Kwan

  Department of Materials Science and Engineering, Hanyang University, Seoul 133-791, Republic of Korea

• Hwang Yubin

  Department of Materials Science and Engineering, Hanyang University, Seoul 133-791, Republic of Korea

関連論文

• Characterization of SiC:H films deposited using HMDS precursor with C_2H_2 dilution gas by remote PECVD system
• A Bio-Inspired 128 × 128 Complementary Metal-Oxide-Semiconductor Vision Chip for Edge Detection with Signal Processing Circuit Separated from Photo-Sensing Circuit
• A Complementary Metal-Oxide-Semiconductor Vision Chip for Edge and Motion Detection with a Function for Output Offset Cancellation
• Serotonin-induced ion channel modulations in mesenteric artery myocytes from normotensive and DOCA-salt hypertensive rats
• Hydrogen Adsortion in Periodic Mesoporous Organic- and Inorganic-Silica Materials at Room Temperature
• Effect of amniotic membrane on induced expression of iNOS by exposure to stimulants in HaCaT cells
• ラット神経幹細胞の分化におけるギャップジャンクション細胞間コミュニケーション (GJIC) の役割 : p38 および ERK1/2 経路の関与(毒性学)
• Residual Stress Behavior of Polyimide Thin Films : Effect of Precursors
• Analysis of Multilayer Structure for Reflection of Extreme-Ultraviolet Wavelength
• O-2-63 Transgastric Endoscopic Cholecystectomy of the Porcine Model
• Effects of Hibarimicins and Hibarimicin-Related Compounds Produced by Microbispora on v-Src Kinase Activity and Growth and Differentiation of Human Myeloid Leukemia HL-60 Cells
• Coexistence of Behcet's Disease and Autoimmune Disease : Clinical Features of 11 Cases
• Physical Properties and Stress Analysis of Low Dielectric Polyimide Films Containing Adamantane Pendant Group
• cDNA Cloning and Expression of an Aminoalcoholphosphotransferase Isoform in Chinese Cabbage
• Zincoaluminophosphate Molecular Sieves with AFI and ATS Topologies : Synthesis by Dry-Gel Conversion Methods and Their Catalytic Properties in the Isopropylation of Biphenyl
• The Topographical Selectivity in Pd-Activated Electroless Copper Deposition
• The Tepographical Selectivity in Pd-Activated Electroless Copper Deposition
• Effects of starvation on morphometric characteristics of olive flounder, Paralichthys olivaceus
• Rational Type of Laparoscopic Hysterectomy and Safety in Anesthetic Profiles
• Two Uterine Arterial Management Methods in Laparoscopic Hysterectomy
• Changes in Corneal Endothelial Cell Density in Patients with Normal-Tension Glaucoma
• Burn scars treated by pinhole method using a carbon dioxide laser
• Photoaddition Reaction of 1,4-Diethynylbenzene to Tetramethyl-1,4-benzoquinone and Photochemical Transformation of the Photoadducts
• An Acoustic Echo Cancellation Based on the Adaptive Lattice-Transversal Joint (LTJ) Filter Structure
• Expression of E- and N-cadherin and clinicopathology in hepatocellular carcinoma
• Subungual Extraskeletal Chondroma Mimicking Glomus Tumor
• Antioxidative Activity of Resveratrol and Its Derivatives Isolated from Seeds of Paeonia lactiflora(Organic Chemistry)
• Nuclear factor-κB dependency of doxorubicin sensitivity in gastric cancer cells is determined by manganese superoxide dismutase expression
• Chemical vapor infiltration (CVI) SiC whisker on carbon woven fabric for filter applications
• Various Patterns of Repigmentation after Narrowband UVB Monotherapy in Patients with Vitiligo
• Sequential Development of Herpes Zoster Duplex Unilateralis during Oral Famciclovir Treatment
• Synthesis of Phosphatidylserine in Carrot Cells Cultured under Carbon-Source Starvation
• Atomic-Scale Investigation on the Ti/Fe(001) Interface Structure: Molecular Dynamics Simulations and Ab initio Calculations
• Electronic Structures and Magnetism of Al/Fe(001) Thin-Film Systems: First-Principles Calculations
• Ferromagnetism Induced by Vacancies in Bulk and the ($10\bar{1}0$) Surfaces of ZnO: Density Functional Theory Calculations
• A RFID EPC C1 Gen2 System with Channel Coding Capability in AWGN Noise Environments
• Study on lon-Exchange Behavior of Cu-CN Complexes
• Residual fraction as a parameter to predict bladder outlet obstruction in men with lower urinary tract symptoms
• Effects of Brimonidine 0.2%-Timolol 0.5% Fixed-Combination Therapy for Glaucoma
• The Influence of Cu and Au on Field Aided Lateral Crystallization of Amorphous Silicon Films
• Active Vision System Based on Human Eye Saccadic Movement (Special Section of Papers Selected from ITC-CSCC'99)
• Changes of precore nucleic acid sequence in chronic hepatitis B patients with and without interferon administration
• イオン性固体中の電場下での物質移動のシミュレーション
• Atomic and Electronic Structure Investigation and Luminescence Property of Eu2+-Doped $\beta$-SiAlON Green Phosphor: Ab initio Calculations
• Atomic-scale simulations of early stage of oxidation of vicinal Si(001) surfaces using a reactive force-field potentials (Special issue: Dielectric thin films for future electron devices: science and technology)
• MC-27 AERODYNAMICALLY INDUCED POWER LOSS IN HARD DISK DRIVES
• Electron accumulation in LaAlO3/SrTiO3 interfaces by the broken symmetry of crystal field (Special issue: Dielectric thin films for future electron devices: science and technology)
• Atomic Layer Etching of Si(100) at Room Temperature
• Atomic Layer Etching of Si(100) at Room Temperature
• Epigenetic methylation and expression of caspase 8 and survivin in hepatocellular carcinoma
• Electronic Properties of Nitrogen-Doped Carbon Nanotubes with Strain: Ab initio Method Approach
• Simple Oblique Lumbar Magnetic Resonance Imaging Technique and its Diagnostic Value for Extraforaminal Disc Herniation
• Magnetic and Structural Phase Transitions of EuFe2As2 Studied via Neutron and Resonant X-ray Scattering
• Magnetic Properties of Iron on Strained Graphene: Density Functional Theory Study
• Adsorption and Diffusion of Li and Ni on Graphene with Boron Substitution for Hydrogen Storage: Ab-initio Method
• Accurate Electronic Structures of Eu-Doped SiAlON Green Phosphor with a Semilocal Exchange--Correlation Potential
• Configuration Dependency of Attached Epoxy Groups on Graphene Oxide Reduction: A Molecular Dynamics Simulation
• Low circulating adiponectin levels are associated with insulin resistance in non-obese peritoneal dialysis patients
• Atomic Investigation of Fe–Cu Magnetic Thin Films by Molecular Dynamics Simulation
• First-Principles Calculations for In-Terminated ($000\bar{1}$) Surface of InN with Defects and Impurities
• Binding Evaluation of Targeted Microbubbles with Biotin–Avidin Interaction by Surface Plasmon Resonance Biosensor
• Magnetic Properties and Electronic Structure of Transition Metal Adsorbed Polar-ZnO Surfaces: Ab initio Calculations
• Atomic Investigation of Al/Ni(001) by Molecular Dynamics Simulation
• Oxygen Vacancy Chain Formation in TiO2 under External Strain for Resistive Switching Memory
• Lithium Adsorption on Hexagonal Boron Nitride Nanosheet Using Dispersion-Corrected Density Functional Theory Calculations
• Water Trapping at the Graphene/Al
• Inverted Bottom-Emission Polymer Light-Emitting Devices Doped with Organic Salt
• Electronic Structures and Atomic Surface Diffusion in Cr/Fe(001) and Fe/Cr(001) Systems: First-Principles Study
• Water Trapping at the Graphene/Al₂O₃ Interface (Special Issue : Microprocesses and Nanotechnology)
• Shape-Dependent Magnetic Moment and Formation Energy of Fe Heterostructures on Cu(111): An Ab initio Study
• Effect of Organic Salt Doping on Electron Injection in Single-Layer Polymer Light-Emitting Diodes
• Screen-Printed Polymer:Fullerene Bulk-Heterojunction Solar Cells
• A model for steam bubble formation at a submerged orifice in a flowing liquid.
• The proportion of uniparental disomy is increased in Prader-Willi syndrome due to an advanced maternal childbearing age in Korea

もっと見る 閉じる

スポンサーリンク