Keywords: نقص واگذاری; Boron nitride nanotubes; Young's modulus; Radiation shielding; Vacancy defects; Density functional theory calculations;
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Keywords: نقص واگذاری; Graphene; Vacancy defects; Electronic properties; Density functional theory;
Keywords: نقص واگذاری; Graphene; Continuum based nanoscale modeling; Stone-Wales defects; Vacancy defects; Random fields; Stochastic finite elements;
Keywords: نقص واگذاری; Graphene; Continuum modeling; Young's modulus; Stochastic analysis; Vacancy defects;
Keywords: نقص واگذاری; Density functional theory (DFT); Nudged elastic band (NEB); Graphene; Phenol; Phenoxy; Stone-Wales; Vacancy defects;
Keywords: نقص واگذاری; Nanoporous gold; Positron annihilation; Vacancy defects; Thermal coarsening
Defects engineering monolayer MoSe2 magnetic states for 2D spintronic device
Keywords: نقص واگذاری; MoSe2; Vacancy defects; Electronic structure; Magnetic properties;
Effect of vacancy on adsorption/dissociation and diffusion of H2S on Fe(1â¯0â¯0) surfaces: A density functional theory study
Keywords: نقص واگذاری; Density functional theory (DFT) calculations; Fe(1â¯0â¯0); Vacancy defects; Dissociation energy barrier; Diffusion path;
Hydrogen generation due to water splitting on Si - terminated 4H-Sic(0001) surfaces
Keywords: نقص واگذاری; SiC(0001) surface; Water splitting; Vacancy defects; First-principles calculation;
Electronic and magnetic properties of structural defects in pristine ZrSe2 monolayer
Keywords: نقص واگذاری; Vacancy defects; Electronic and magnetic properties; ZrSe2; First-principles;
Effect of structural defects on electronic and magnetic properties in pristine and Cr-doped HfS2 monolayer
Keywords: نقص واگذاری; Vacancy defects; HfS2 monolayer; Electronic and magnetic properties;
Nanomechanics and modelling of hydrogen stored carbon nanotubes under compression for PEM fuel cell applications
Keywords: نقص واگذاری; Single walled carbon nanotubes; Hydrogen molecules; Hydrogen storage; Compressive strength; Vacancy defects;
NO-sensing performance of vacancy defective monolayer MoS2 predicted by density function theory
Keywords: نقص واگذاری; Monolayer MoS2; Vacancy defects; NO molecule; Gas sensing;
Effect of structural defects on electronic and magnetic properties of ZrS2 monolayer
Keywords: نقص واگذاری; 2D monolayers; Transition-metal dichalcogenides; Vacancy defects;
Effect of defects on adsorption characteristics of AlN monolayer towards SO2 and NO2: Ab initio exposure
Keywords: نقص واگذاری; AlN monolayer; Vacancy defects; Adsorption; Electronic structure; DFT; First-principles;
Doping and defect-induced germanene: A superior media for sensing H2S, SO2, and CO2 gas molecules
Keywords: نقص واگذاری; Toxic gas; Sensor; Vacancy defects; Doping; Germanene nanosheet;
Thermal buckling behavior of defective CNTs under pre-load: A molecular dynamics study
Keywords: نقص واگذاری; Defective CNTs; Vacancy defects; Molecular dynamics simulations; Thermomechanical buckling;
Evaluation of defect formation in helium irradiated Y2O3 doped W-Ti alloys by positron annihilation and nanoindentation
Keywords: نقص واگذاری; W-Ti-ODS alloys; He implantation; Positron annihilation spectroscopy; Nanoindentation; Vacancy defects;
Research on electronic structure and optical properties of Ga0.75Al0.25N with vacancy defects
Keywords: نقص واگذاری; First-principles; Vacancy defects; Electronic structure; Optical properties;
Strain engineering the magnetic states of vacancy-doped monolayer MoSe2
Keywords: نقص واگذاری; First-principles; Monolayer MoSe2; Vacancy defects; Biaxial strain; Magnetic properties
Hydrogen diffusion behavior and vacancy interaction behavior in OsO2 and RuO2 by ab initio calculations
Keywords: نقص واگذاری; Hydrogen diffusion; Osmium dioxide; Ruthenium dioxide; Vacancy defects;
Catalytic decomposition of sulfuric acid over CuO/CeO2 in the sulfur-iodine cycle for hydrogen production
Keywords: نقص واگذاری; Sulfur-iodine cycle; H2SO4 decomposition; CuO/CeO2 catalyst; Vacancy defects; Redox mechanism; Hydrogen production;
Structural defects in pristine and Mn-doped monolayer WS2: A first-principles study
Keywords: نقص واگذاری; Vacancy defects; Monolayer WS2; First-principles;
Explicit expressions describing elastic properties and buckling load of BN nanosheets due to the effects of vacancy defects
Keywords: نقص واگذاری; Boron nitride; Nanosheets; Vacancy defects; Elastic properties; Buckling load;
The effect of Fe vacancy defects on the physical and electrochemical characterizations of LiFe0.92PO4: A combined experimental and theoretical study
Keywords: نقص واگذاری; Lithium-ion battery; Lithium iron phosphate; Vacancy defects; First principles calculation; Electronic structures
Defect dynamics in Li substituted nanocrystalline ZnO: A spectroscopic analysis
Keywords: نقص واگذاری; ZnO nanocrystals; Vacancy defects; X-ray photoelectron spectroscopy; Positron annihilation spectroscopy  and Photoluminescence;
Annealing temperature effects on the magnetic properties and induced defects in C/N/O implanted MgO
Keywords: نقص واگذاری; Ions implantation; Diluted magnetic semiconductors; Vacancy defects; Positron annihilation spectroscopy
Vacancy defects in indium oxide: An ab-initio study
Keywords: نقص واگذاری; First-principles calculations; Vacancy defects; Indium oxide
Computational study of the effect of carbon vacancy defects on the Young's modulus of (6, 6) single wall carbon nanotube
Keywords: نقص واگذاری; SWCNT; Molecular dynamics; Young's modulus; Vacancy defects
Impurities in FeAs-based superconductor, SrFe2As2, studied by first-principles calculations
Keywords: نقص واگذاری; Iron-based superconductor; SrFe2As2; Water vapor exposure; Impurity; Vacancy defects; Crystal structure; Formation energy; Density functional theory
Positron annihilation studies of microstructural changes in cold-worked Fe–Ni-base aging alloys
Keywords: نقص واگذاری; Positron annihilation; Fcc alloys; Plastic deformation; Vacancy defects; Segregation; Heterogeneous precipitation
Application of non-linear optical second harmonic generation and X-ray absorption and spectroscopies to defect related properties of Hf silicate and Hf Si oxynitride gate dielectrics
Keywords: نقص واگذاری; Hf oxide based dielectrics; Phase separated Hf silicates; Hf Si oxynitrides; Non-linear optical second harmonic generation; X-ray absorption spectroscopy; Vacancy defects; Elimination of macroscopic strain
Optimizing the hydrogen storage in boron nitride nanotubes by defect engineering
Keywords: نقص واگذاری; Boron nitride nanotubes; Hydrogen storage; Vacancy defects; Density functional calculations
Computer simulation of the vacancy defects interaction with shuffle dislocation in silicon
Keywords: نقص واگذاری; Molecular dynamics simulation; Dislocation velocity; Vacancy defects; Threading dislocations; Silicon
Investigation of vacancy defects effects on the buckling behavior of SWCNTs via a structural mechanics approach
Keywords: نقص واگذاری; Structural mechanics approach; Buckling; Single-walled carbon nanotubes; Vacancy defects
Comparisons between intrinsic bonding defects in d0 transition metal oxide such as HfO2, and impurity atom defects in d0 complex oxides such as GdScO3
Keywords: نقص واگذاری; Transition metal elemental oxides; Complex oxides; Vacancy defects; Alternative valence defects and alloy atoms; Insulator metal phase transition
A comparison of diamonds irradiated by high fluence neutrons or electrons, before and after annealing
Keywords: نقص واگذاری; Neutron irradiation; Electron irradiation; Annealing; Continuum absorption; Vacancy defects; Brown diamond
The production of non linear damage under molecular ion implantation
Keywords: نقص واگذاری; 61.72.Ji; 61.80.Lj; 61.80.JhMolecular effect; Vacancy defects
Interactions between transition metals and defective carbon nanotubes
Keywords: نقص واگذاری; 61.72.Ji; 73.22.−f; 75.50.DdCarbon nanotubes; Vacancy defects; Ab initio simulation; Transition metals
Positron lifetimes in ZnO single crystals
Keywords: نقص واگذاری; ZnO; Positron lifetime; Vacancy defects; Hydrogen-defect interaction;
Study of defect engineering in the initial stage of SIMOX processing
Keywords: نقص واگذاری; 61.72.Tt; 61.72.Yx; 61.72.JiIon implantation; SIMOX process; Vacancy defects; Defect engineering; Si
Vacancy defects induced in the track region of 132 MeV 12C irradiated SiC
Keywords: نقص واگذاری; 61.80; 61.72.J; 71.60.+z; 61.72.HhSiC; Vacancy defects; Positron annihilation spectroscopy; EPR; Irradiation
Depth distribution of carrier lifetime in 65 MeV oxygen ion irradiated silicon wafers
Keywords: نقص واگذاری; 72.20.Jv; 72.10.Fk; 61.80.Lj; 34.50.BwCarrier lifetime; Vacancy defects; Swift heavy ions; Electronic energy loss
Vacancy defects induced in sintered polished UO2 disks by helium implantation
Keywords: نقص واگذاری; Slow positron beam; Uranium dioxide; Vacancy defects; Helium implantation; Doppler broadening;
Thermal evolution of vacancy defects induced in sintered UO2 disks by helium implantation
Keywords: نقص واگذاری; Slow positron beam; Uranium dioxide; Vacancy defects; Helium implantation; Doppler broadening; Thermal evolution; Hydrogen;
The electronic structure of oxygen vacancy defects at the low index surfaces of ceria
Keywords: نقص واگذاری; Ceria; Surfaces; Density functional theory; On-site correlation; Vacancy defects; Electronic structure;