Density Functional Theory Study on the Mechanical Properties and Interlayer Interactions of Multi-layer Graphene: Carbonic, Silicon-Carbide and Silicene Graphene-like Structures

Emergent elemental two-dimensional materials beyond graphene

(2017) Yuanbo Zhang et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Platinum adsorption onto graphene and oxidized graphene: A quantum mechanics study

(2017) S.A. Jafari et al.   MATERIALS CHEMISTRY AND PHYSICS

Combining density functional theory-finite element multi-scale method to predict mechanical properties of polypropylene/graphene nanocomposites: Experimental study

(2017) A. Hamed Mashhadzadeh et al.   MATERIALS CHEMISTRY AND PHYSICS

Buckled two-dimensional Xene sheets

(2017) Alessandro Molle et al.   NATURE MATERIALS

Interlayer interaction and mechanical properties in multi-layer graphene, Boron-Nitride, Aluminum-Nitride and Gallium-Nitride graphene-like structure: A quantum-mechanical DFT study

(2017) Morteza Ghorbanzadeh Ahangari et al.   SUPERLATTICES AND MICROSTRUCTURES

Molecular dynamic study of mechanical properties of single/double wall SiCNTs: Consideration temperature, diameter and interlayer distance

(2017) F. Memarian et al.   VACUUM

Synthesis and chemistry of elemental 2D materials

(2017) Andrew J. Mannix et al.   Nature Reviews Chemistry

Investigation of heavy metal atoms adsorption onto graphene and graphdiyne surface: A density functional theory study

(2016) A. Hamed Mashhadzadeh et al.   SUPERLATTICES AND MICROSTRUCTURES

Influence of alkane chain length on adsorption on an α-alumina surface by MD simulations

(2015) C. Turgut et al.   NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS

Graphene Young’s modulus: Molecular mechanics and DFT treatments

(2015) F. Memarian et al.   SUPERLATTICES AND MICROSTRUCTURES

Atomistic simulations on the influence of diameter, number of walls, interlayer distance and temperature on the mechanical properties of BNNTs

(2015) A. Fereidoon et al.   SUPERLATTICES AND MICROSTRUCTURES

Modeling of the interaction between polypropylene and monolayer sheets: a quantum mechanical study

(2015) M. Ghorbanzadeh Ahangari   RSC Advances

Adsorption of H 2 S molecules on non-carbonic and decorated carbonic graphenes: A van der Waals density functional study

(2014) M.D. Ganji et al.   COMPUTATIONAL MATERIALS SCIENCE

Two-Dimensional Nanostructure-Reinforced Biodegradable Polymeric Nanocomposites for Bone Tissue Engineering

(2013) Gaurav Lalwani et al.   BIOMACROMOLECULES

Chemical functionalization of graphene oxide toward the tailoring of the interface in polymer composites

(2013) Bin Shen et al.   COMPOSITES SCIENCE AND TECHNOLOGY

Structural, Electronic, and Magnetic Properties of the Semifluorinated Boron Nitride Bilayer: A First-Principles Study

(2013) Yanli Wang et al.   Journal of Physical Chemistry C

Electronic and mechanical properties of single-walled carbon nanotubes interacting with epoxy: A DFT study

(2013) M. Ghorbanzadeh Ahangari et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Why the Band Gap of Graphene Is Tunable on Hexagonal Boron Nitride

(2012) Erjun Kan et al.   Journal of Physical Chemistry C

Elastic properties of SWCNTs with curved morphology: Density functional tight binding based treatment

(2012) M.D. Ganji et al.   SOLID STATE COMMUNICATIONS

Si-decorated graphene: a superior media for lithium-ions storage

(2012) Narges Sharifi et al.   STRUCTURAL CHEMISTRY

Density functional theory investigation of the mechanical properties of single-walled carbon nanotubes

(2011) A. Fereidoon et al.   COMPUTATIONAL MATERIALS SCIENCE

Epitaxial growth of a silicene sheet

(2010) Boubekeur Lalmi et al.   APPLIED PHYSICS LETTERS

First-principles study of defects and adatoms in silicon carbide honeycomb structures

(2010) E. Bekaroglu et al.   PHYSICAL REVIEW B

Practical Chemical Sensors from Chemically Derived Graphene

(2009) Jesse D. Fowler et al.   ACS Nano

Electrochemical Properties of Graphene Paper Electrodes Used in Lithium Batteries

(2009) Caiyun Wang et al.   CHEMISTRY OF MATERIALS

Facile preparation and thermal degradation studies of graphite nanoplatelets (GNPs) filled thermoplastic polyurethane (TPU) nanocomposites

(2009) Hui Quan et al.   COMPOSITES PART A-APPLIED SCIENCE AND MANUFACTURING

Supercapacitor Devices Based on Graphene Materials

(2009) Yan Wang et al.   Journal of Physical Chemistry C

Infrared-Triggered Actuators from Graphene-Based Nanocomposites

(2009) Jiajie Liang et al.   Journal of Physical Chemistry C

Functionalized graphene sheet-Poly(vinylidene fluoride) conductive nanocomposites

(2009) Seema Ansari et al.   JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS

Properties of Waterborne Polyurethane/Functionalized Graphene Sheet Nanocomposites Prepared by an in situ Method

(2009) Yu Rok Lee et al.   MACROMOLECULAR CHEMISTRY AND PHYSICS

Prediction of Young’s modulus of graphene sheets and carbon nanotubes using nanoscale continuum mechanics approach

(2009) Mahmood M. Shokrieh et al.   MATERIALS & DESIGN

Graphene-based Composite Thin Films for Electronics

(2009) Goki Eda et al.   NANO LETTERS

A hybrid material of graphene and poly (3,4-ethyldioxythiophene) with high conductivity, flexibility, and transparency

(2009) Yanfei Xu et al.   Nano Research

Effective elastic mechanical properties of single layer graphene sheets

(2009) F Scarpa et al.   NANOTECHNOLOGY

Functionalized graphene sheets for polymer nanocomposites

(2008) T. Ramanathan et al.   Nature Nanotechnology

Measurement of the Elastic Properties and Intrinsic Strength of Monolayer Graphene

(2008) C. Lee et al.   SCIENCE