Fracture mechanics of polycrystalline beryllium oxide nanosheets: A theoretical basis

Nonlinear Fracture of Two-Dimensional Transitional Metal Carbides (MXenes)

(2020) Congjie Wei et al.   ENGINEERING FRACTURE MECHANICS

Mechanical, electronic and stability properties of multi-walled beryllium oxide nanotubes and nanopeapods: a density functional theory study

(2020) Y. Rostamiyan et al.   JOURNAL OF MOLECULAR MODELING

The adsorption enhancement of graphene for fluorine and chlorine from water

(2020) Chaohong Guan et al.   APPLIED SURFACE SCIENCE

Adsorption of small hydrocarbons on pristine, N-doped and vacancy graphene by DFT study

(2020) Kun Li et al.   APPLIED SURFACE SCIENCE

A theoretical scenario for the mechanical failure of boron carbide nanotubes

(2020) Azam Salmankhani et al.   COMPUTATIONAL MATERIALS SCIENCE

Insight into the Self-Insertion of a Protein Inside the Boron Nitride Nanotube

(2020) Maryam Zarghami Dehaghani et al.   ACS Omega

Correlation between surface topological defects and fracture mechanism of γ-graphyne-like boron nitride nanosheets

(2020) Babak Bagheri et al.   COMPUTATIONAL MATERIALS SCIENCE

Theoretical studies on the mechanical and electronic properties of 2D and 3D structures of Beryllium-Oxide graphene and graphene nanobud

(2019) A. Hamed Mashhadzadeh et al.   APPLIED SURFACE SCIENCE

A review on thermo-mechanical properties of bi-crystalline and polycrystalline 2D nanomaterials

(2019) Bharat Bhushan Sharma et al.   CRITICAL REVIEWS IN SOLID STATE AND MATERIALS SCIENCES

Effect of various defects on mechanical and electronic properties of zinc-oxide graphene-like structure: A DFT study

(2019) M. Ghorbanzadeh Ahangari et al.   VACUUM

Mechanical properties of graphene-like BC3; a molecular dynamics study

(2019) Reza Khademi Zahedi et al.   COMPUTATIONAL MATERIALS SCIENCE

Mechanical properties of silicon-germanium nanotubes: A molecular dynamics study

(2019) A. Dadrasi et al.   APPLIED SURFACE SCIENCE

Effect of point defects and low-density carbon-doped on mechanical properties of BNNTs: A molecular dynamics study

(2019) A.R. Albooyeh et al.   MATERIALS CHEMISTRY AND PHYSICS

Mechanical responses of pristine and defective C 3 N nanosheets studied by molecular dynamics simulations

(2018) A.H.N. Shirazi et al.   COMPUTATIONAL MATERIALS SCIENCE

Molecular dynamics study on the mechanical properties of carbon doped single-layer polycrystalline boron-nitride nanosheets

(2018) Amir Namazian Jam et al.   COMPUTATIONAL MATERIALS SCIENCE

Molecular Dynamics Simulation of Nanocrack Propagation in Single-Layer MoS2 Nanosheets

(2018) Hongwei Bao et al.   Journal of Physical Chemistry C

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

(2018) Morteza Ghorbanzadeh Ahangari et al.   Silicon

DFT study of Ni, Cu, Cd and Ag heavy metal atom adsorption onto the surface of the zinc-oxide nanotube and zinc-oxide graphene-like structure

(2018) A. Hamed Mashhadzadeh et al.   MATERIALS CHEMISTRY AND PHYSICS

Density functional theory study of adsorption properties of non-carbon, carbon and functionalized graphene surfaces towards the zinc and lead atoms

(2018) A. Hamed Mashhadzadeh et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

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

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

Atomistic modeling of interfacial interaction between polyvinyl chloride and polypropylene with Boron-Nitride monolayer sheet: A density functional theory study

(2017) A. Hamed Mashhadzadeh et al.   SUPERLATTICES AND MICROSTRUCTURES

Point defects in hexagonal germanium carbide monolayer: A first-principles calculation

(2016) Fatih Ersan et al.   APPLIED SURFACE SCIENCE

Quasi-particle energies and optical excitations of wurtzite BeO and its nanosheet

(2016) Masoud Shahrokhi et al.   JOURNAL OF ALLOYS AND COMPOUNDS

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

Effects of grain size, temperature and strain rate on the mechanical properties of polycrystalline graphene – A molecular dynamics study

(2015) M.Q. Chen et al.   CARBON

Thermal Conductivity and Prospects for Application of BeO Ceramic in Electronics

(2015) V. S. Kiiko et al.   GLASS AND CERAMICS

The effect of Stone–Thrower–Wales defects on mechanical properties of graphene sheets – A molecular dynamics study

(2014) Linchun He et al.   CARBON

Ab initio calculations of electronic and optical properties of BeO nanosheet

(2014) Sh. Valedbagi et al.   Electronic Materials Letters

Molecular dynamics study on the mode I fracture of calcium silicate hydrate under tensile loading

(2014) Dongshuai Hou et al.   ENGINEERING FRACTURE MECHANICS

Polycrystalline graphene and other two-dimensional materials

(2014) Oleg V. Yazyev et al.   Nature Nanotechnology

Mechanical properties of polycrystalline boron-nitride nanosheets

(2014) Bohayra Mortazavi et al.   RSC Advances

Thermal conductivity and tensile response of defective graphene: A molecular dynamics study

(2013) Bohayra Mortazavi et al.   CARBON

Grain misorientation and grain-boundary rotation dependent mechanical properties in polycrystalline graphene

(2013) Jiangtao Wu et al.   JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS

High-Strength Chemical-Vapor-Deposited Graphene and Grain Boundaries

(2013) G.-H. Lee et al.   SCIENCE

Porous boron nitride nanosheets for effective water cleaning

(2013) Weiwei Lei et al.   Nature Communications

Strain enhanced defect reactivity at grain boundaries in polycrystalline graphene

(2011) Bin Wang et al.   CARBON

Thermal properties of graphene and nanostructured carbon materials

(2011) Alexander A. Balandin   NATURE MATERIALS

Mechanical properties of defective single-layered graphene sheets via molecular dynamics simulation

(2011) R. Ansari et al.   SUPERLATTICES AND MICROSTRUCTURES

Quantum Modeling of Hydrogen Retention in Beryllium Bulk and Vacancies

(2010) A. Allouche et al.   Journal of Physical Chemistry C

Electronic structure and properties of beryllium oxide

(2009) A. L. Ivanovskii et al.   INORGANIC MATERIALS

The electronic properties of graphene

(2009) A. H. Castro Neto et al.   REVIEWS OF MODERN PHYSICS

Extremely high thermal conductivity of graphene: Prospects for thermal management applications in nanoelectronic circuits

(2008) S. Ghosh et al.   APPLIED PHYSICS LETTERS

Measurement of the Elastic Properties and Intrinsic Strength of Monolayer Graphene

(2008) C. Lee et al.   SCIENCE