Carbonization mechanisms of polyimide: Methodology to analyze carbon materials with nitrogen, oxygen, pentagons, and heptagons

Brominated positions on graphene nanoribbon analyzed by infrared spectroscopy

(2020) Yasuhiro Yamada et al.   JOURNAL OF MATERIALS SCIENCE

Bottom-up synthesis of highly soluble carbon materials

(2020) Syun Gohda et al.   JOURNAL OF MATERIALS SCIENCE

Topological carbon materials: A new perspective

(2020) Yuanping Chen et al.   PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS

Fullerene-like defects in high-temperature neutron-irradiated nuclear graphite

(2020) Steve Johns et al.   CARBON

Restoration of the graphitic structure by defect repair during the thermal reduction of graphene oxide

(2020) K. Kanishka H. De Silva et al.   CARBON

Carbonization of phloroglucinol promoted by heteropoly acids

(2020) Syun Gohda et al.   Journal of Materials Science

Carbon materials with high pentagon density

(2020) Nooramalina Diana et al.   Journal of Materials Science

Atomistic Scale Analysis of the Carbonization Process for C/H/O/N-Based Polymers with the ReaxFF Reactive Force Field

(2019) Malgorzata Kowalik et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Effect of volume fraction and unidirectional orientation controlled graphite on thermal properties of graphite/copper composites

(2019) Jun-Ho Jang et al.   COMPOSITES PART B-ENGINEERING

Polymer composites with high thermal conductivity optimized by polyline-folded graphite paper

(2019) Chen Li et al.   COMPOSITES SCIENCE AND TECHNOLOGY

Emergence of Raman active D- band and unusually suppressed conductivity mediated by nanoscale defects in pencil-lead graphitic systems under 80 keV Xe+ ion irradiation

(2019) Hemanga J. Sarmah et al.   NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS

Predicting cost-effective carbon fiber precursors: Unraveling the functionalities of oxygen and nitrogen-containing groups during carbonization from ReaxFF simulations

(2019) Qian Mao et al.   CARBON

Large-scale synthesis of fluorinated graphene by rapid thermal exfoliation of highly fluorinated graphite

(2018) Michael Herraiz et al.   DALTON TRANSACTIONS

ReaxFF Molecular Dynamics Simulation for the Graphitization of Amorphous Carbon: A Parametric Study

(2018) Kejiang Li et al.   Journal of Chemical Theory and Computation

Enhanced Particle Swarm Optimization Algorithm: Efficient Training of ReaxFF Reactive Force Fields

(2018) David Furman et al.   Journal of Chemical Theory and Computation

Quantitative Analysis of Zigzag and Armchair Edges on Carbon Materials with and without Pentagons Using Infrared Spectroscopy

(2018) Tatsuya Sasaki et al.   ANALYTICAL CHEMISTRY

Raman and IR signature of pristine and BN- doped γ-graphyne from first-principle

(2018) Barnali Bhattacharya et al.   CARBON

Carbon Materials with Zigzag and Armchair Edges

(2018) Yasuhiro Yamada et al.   ACS Applied Materials & Interfaces

Analyses of oxidation process for isotropic pitch-based carbon fibers using model compounds

(2018) Takahiro Senda et al.   CARBON

How doping configuration affects electron transport in monolayer zigzag graphene nanoribbon

(2018) Maryam Jamaati et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Precise Analysis of Thermal Volume Expansion of Crystal Lattice for Fully Aromatic Crystalline Polyimides by X-ray Diffraction Method: Relationship between Molecular Structure and Linear/Volumetric Thermal Expansion

(2017) Ryohei Ishige et al.   MACROMOLECULES

Origins of sp3C peaks in C1s X-ray Photoelectron Spectra of Carbon Materials

(2016) Ayaka Fujimoto et al.   ANALYTICAL CHEMISTRY

Knoevenagel condensation using nitrogen-doped carbon catalysts

(2016) Takehiro Tanabe et al.   CARBON

Selective doping of nitrogen into carbon materials without catalysts

(2016) Yasuhiro Yamada et al.   JOURNAL OF MATERIALS SCIENCE

Conformational, IR spectroscopic and electronic properties of conium alkaloids and their adducts with C60 fullerene

(2016) M.A. Zabolotnyi et al.   JOURNAL OF MOLECULAR STRUCTURE

NMR Spectral Parameters in Graphene, Graphite, and Related Materials: Ab Initio Calculations and Experimental Results

(2016) Fábio A. L. de Souza et al.   Journal of Physical Chemistry C

Raman Fingerprints of Atomically Precise Graphene Nanoribbons

(2016) Ivan A. Verzhbitskiy et al.   NANO LETTERS

Multi-step mechanism of carbonization in templated polyacrylonitrile derived fibers: ReaxFF model uncovers origins of graphite alignment

(2015) Biswajit Saha et al.   CARBON

A ReaxFF-based molecular dynamics study of the pyrolysis mechanism of polyimide

(2015) Xu Lu et al.   POLYMER DEGRADATION AND STABILITY

Raman spectroscopy as a tool to investigate the structure and electronic properties of carbon-atom wires

(2015) Alberto Milani et al.   Beilstein Journal of Nanotechnology

Nitrogen-containing graphene analyzed by X-ray photoelectron spectroscopy

(2014) Yasuhiro Yamada et al.   CARBON

Reactive Molecular Dynamics Simulation on the Disintegration of Kapton, POSS Polyimide, Amorphous Silica, and Teflon during Atomic Oxygen Impact Using the Reaxff Reactive Force-Field Method

(2014) A. Rahnamoun et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Oxygen Migration and Selective CO and CO2 Formation from Epoxidized Fullerenes

(2014) Jungpil Kim et al.   Journal of Physical Chemistry C

Pyrolysis of Epoxidized Fullerenes Analyzed by Spectroscopies

(2014) Jungpil Kim et al.   Journal of Physical Chemistry C

Subnanometer Vacancy Defects Introduced on Graphene by Oxygen Gas

(2014) Yasuhiro Yamada et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Aromatic polyimides as carbon precursors

(2013) Michio Inagaki et al.   CARBON

Density functional theory calculations of XPS binding energy shift for nitrogen-containing graphene-like structures

(2013) K. Artyushkova et al.   CHEMICAL COMMUNICATIONS

Analysis of heat-treated graphite oxide by X-ray photoelectron spectroscopy

(2013) Yasuhiro Yamada et al.   JOURNAL OF MATERIALS SCIENCE

Defect Healing of Chemical Vapor Deposition Graphene Growth by Metal Substrate Step

(2013) Lijuan Meng et al.   Journal of Physical Chemistry C

Carbonization in Polyacrylonitrile (PAN) Based Carbon Fibers Studied by ReaxFF Molecular Dynamics Simulations

(2012) Biswajit Saha et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Probing the Nature of Defects in Graphene by Raman Spectroscopy

(2012) Axel Eckmann et al.   NANO LETTERS

ReaxFF-lg: Correction of the ReaxFF Reactive Force Field for London Dispersion, with Applications to the Equations of State for Energetic Materials

(2011) Lianchi Liu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Structural features of carbon products: an NMR study

(2011) M. V. Mokeev et al.   RUSSIAN JOURNAL OF APPLIED CHEMISTRY

FT-IR spectroscopy and DFT calculation study on the solvent effects of benzaldehyde in organic solvents

(2011) Yi Li et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Quantifying ion-induced defects and Raman relaxation length in graphene

(2010) M.M. Lucchese et al.   CARBON

One-step room-temperature synthesis of fibrous polyimide aerogels from anhydrides and isocyanates and conversion to isomorphic carbons

(2010) Chakkaravarthy Chidambareswarapattar et al.   JOURNAL OF MATERIALS CHEMISTRY

Reaction of Phenyl Isocyanate and Phenyl Isothiocyanate with the Ge(100)-2 × 1 Surface

(2010) Paul W. Loscutoff et al.   Journal of Physical Chemistry C

Raman Scattering at Pure Graphene Zigzag Edges

(2010) Benjamin Krauss et al.   NANO LETTERS

Perspectives on Carbon Nanotubes and Graphene Raman Spectroscopy

(2010) Mildred S. Dresselhaus et al.   NANO LETTERS

Graphene and graphite nanoribbons: Morphology, properties, synthesis, defects and applications

(2010) Mauricio Terrones et al.   Nano Today

Raman spectroscopy in graphene

(2009) L.M. Malard et al.   PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS

Correlation between hydrogen-bonding interaction and mechanical properties of polyimide fibers

(2009) Xiangyang Liu et al.   POLYMERS FOR ADVANCED TECHNOLOGIES

Edge chirality determination of graphene by Raman spectroscopy

(2008) YuMeng You et al.   APPLIED PHYSICS LETTERS

ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation

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

Raman Spectra of Graphite Oxide and Functionalized Graphene Sheets

(2007) Konstantin N. Kudin et al.   NANO LETTERS