Keywords: خواص الکترونیکی; Semiconductors; Vapor deposition; Catalysis; Diffusion; Electronic properties;
مقالات ISI خواص الکترونیکی (ترجمه نشده)
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Keywords: خواص الکترونیکی; Copper phthalocyanine; C60; Organic photovoltaics; Optical properties; Electronic properties
Keywords: خواص الکترونیکی; Electronic properties; Hardness; Ideal strength; First principles calculation; Carbon allotrope
Keywords: خواص الکترونیکی; Electronic properties; Elastic properties; Thermodynamic properties; Minimum thermal conductivity
Keywords: خواص الکترونیکی; Copper nanoparticle; Molecular dynamics simulation; Structural transition; Electronic properties
Keywords: خواص الکترونیکی; Carbides; First-principles calculation; Elastic properties; Anisotropy; Electronic properties;
Keywords: خواص الکترونیکی; Nitride materials; Transition metal alloys and compounds; Chemical synthesis; X-ray diffraction; Electronic properties; Magnetization
Keywords: خواص الکترونیکی; Defects; Density functional theory; Band gap; Electronic properties; Gallium arsenide; Modeling and simulation
Keywords: خواص الکترونیکی; Graphene; Subtitutional doping; Catalysis; Electronic properties;
Keywords: خواص الکترونیکی; Hyperbranched polymers; Electronic properties; Diacetylenes; Semiconducting polymers; Morphology
Keywords: خواص الکترونیکی; Sintering; Microstructure; Electronic properties; Powder metallurgy
Keywords: خواص الکترونیکی; Bromopyrazone; Vibrational spectroscopy; UV–vis. spectroscopy; DFT calculations; Electronic properties
Keywords: خواص الکترونیکی; Density functional theory; Photoelectron spectra; Aluminum dideuteride clusters; Infrared spectra; Electronic properties
Keywords: خواص الکترونیکی; 2-Phenylaminonaphthoquinones; T. cruzi; Cytotoxicity; Benzocarbazolequinones; Electronic properties
Keywords: خواص الکترونیکی; Tensile-strained Ge; In-plane biaxial strain; Electronic properties; Ab initio; Hybrid functional;
Keywords: خواص الکترونیکی; DFT calculations; Lithium niobate; Electronic properties; Optical properties;
Keywords: خواص الکترونیکی; Adsorption; CO2 molecule; Al-doped BNNT; Electronic properties;
Keywords: خواص الکترونیکی; Perovskites; Thin slabs; Electronic properties; Magnetic properties; Density functional theory
Keywords: خواص الکترونیکی; Density functional theory; Huesler alloys; Electronic properties; Magnetic properties
Keywords: خواص الکترونیکی; Conium alkaloids; C60 fullerene; FT-IR spectroscopy; Electronic properties
Elements (Si, Sn, and Mg) doped α-Ga2O3: First-principles investigations and predictions
Keywords: خواص الکترونیکی; First-principles; α-Ga2O3; Doping; Transition levels; Electronic properties;
The redox mechanism investigation of non-small cell lung cancer drug: Erlotinib via theoretical and experimental techniques and its host-guest detection by β-Cyclodextrin nanoparticles modified glassy carbon electrode
Keywords: خواص الکترونیکی; Anticancer drug; Erlotinib; Adsorptive stripping square wave voltammetry; β-Cyclodextrin; Electronic properties; Computational analysis;
Modulation of electronic properties of monolayer InSe through strain and external electric field
Keywords: خواص الکترونیکی; Keyword: Monolayer InSe; Electronic properties; Uniaxial strain; Electric field; First-principles calculations;
Electronic and magnetic properties of new half-metallic ferromagnetic rutile Ti1-x-yVxNiyO2 (x = y = 6.25%): A first-principles study
Keywords: خواص الکترونیکی; Electronic properties; Magnetic properties; Rutile TiO2; Half-metallic ferromagnetic;
Atomic structure and electronic properties of Ag(111)/TiC(111) interface: Insights from first-principles simulations
Keywords: خواص الکترونیکی; First-principles; Ag/TiC interface; Atomic structure; Electronic properties;
Theoretical research on structural, electronic, mechanical, lattice dynamical and thermodynamic properties of layered ternary nitrides Ti2AN (Aâ¯=â¯Si, Ge and Sn)
Keywords: خواص الکترونیکی; MAX phases; Electronic properties; Nitrides; Mechanical properties; Lattice dynamics; Thermodynamic properties;
Tuning electronic and magnetic properties of single-layer PN phases by point defects
Keywords: خواص الکترونیکی; Blue and black phases of phosphorus nitrogene; Point defected geometries; Electronic properties; Density functional theory;
First principles study of the structural, electronic, magnetic and thermoelectric properties of Zr2RhAl
Keywords: خواص الکترونیکی; Heusler alloys; Electronic properties; Magnetic properties; Thermoelectric properties;
Density functional theory study of small Ag cluster adsorbed on graphyne
Keywords: خواص الکترونیکی; Ag cluster; γ-graphyne; Density functional theory; Adsorption; Electronic properties;
Electronic and magnetic properties of the adsorption of As harmful species on zero-valent Fe surfaces, clusters and nanoparticules
Keywords: خواص الکترونیکی; Water contaminants; As species; Adsorption; Iron; Electronic properties;
Insight into the structural, elastic and electronic properties of tetragonal inter-alkali metal chalcogenides CsNaX (X=S, Se, and Te) from first-principles calculations
Keywords: خواص الکترونیکی; Ternary inter-alkali metal chalcogenides; Ab initio calculations; Elastic properties; Electronic properties;
Evolution of the orbitals Dy-4f in the DyB2 compound using the LDA, PBE approximations, and the PBE0 hybrid functional
Keywords: خواص الکترونیکی; Diboride; Rare earth; Electronic properties; Density of states (DOS);
Probing the geometric structures and electronic properties of anionic and neutral Pt3C2 clusters by density functional calculations
Keywords: خواص الکترونیکی; Geometric structures; Electronic properties; Density functional calculations;
Strained noble metal di chalcogenides PtX2 (X = S, Se) mono-layer: Ab initio study of electronic and lattice dynamic properties
Keywords: خواص الکترونیکی; Strain; Electronic properties; Vibrational spectrum; Monolayer; PtS2; PtSe2;
Hard three-dimensional BN framework with one-dimensional metallicity
Keywords: خواص الکترونیکی; First-principles calculations; Boron nitride; Electronic properties; One-dimensional metallicity; Low energy; Hard material;
Probing the structures and properties of Ti2Si20â/0 clusters by density functional theory calculations
Keywords: خواص الکترونیکی; Geometric structures; Electronic properties; Aromaticity; Density functional theory calculations;
Mo and P co-doped Ba5Ta4O15 for hydrogen evolution under solar light
Keywords: خواص الکترونیکی; Electronic properties; Ba5Ta4O15; Photocatalytic materials; Density functional theory;
Structural, electronic and photocatalytic properties of atomic defective BiI3 monolayers
Keywords: خواص الکترونیکی; Defective structures; BiI3 monolayer; Electronic properties; Photocatalytic properties;
Penta-SiC5 monolayer: A novel quasi-planar indirect semiconductor with a tunable wide band gap
Keywords: خواص الکترونیکی; First principles calculations; Penta-SiC5 monolayer; Indirect semiconductor; Electronic properties;
Study of the structural, electronic, and optical properties of the host matrices of LiAl5O8 and LiGa5O8 via DFT
Keywords: خواص الکترونیکی; Electronic properties; Optical properties; Luminescence;
Structure, mechanical, electronic and thermodynamic properties of Mo5Si3 from first-principles calculations
Keywords: خواص الکترونیکی; Mo5Si3; Mechanical properties; Electronic properties; Thermodynamic properties; First-principles calculations;
Lattice-matched heterojunctions between blue phosphorene and MXene Y2CX2 (Xâ¯=â¯F, O, and Yâ¯=â¯Zr, Hf)
Keywords: خواص الکترونیکی; Heterojunctions; Blue phosphorene; MXene; Electronic properties; Flat band;
Effect of anti-site point defects on the mechanical and thermodynamic properties of MgZn2, MgCu2 Laves phases: A first-principle study
Keywords: خواص الکترونیکی; Point defects; Laves phases; Vibrational properties; Thermodynamic properties; Electronic properties;
Photonic, spectroscopic properties and electronic structure of PTCDI-C8 organic nanostructure
Keywords: خواص الکترونیکی; Optical techniques; Structure analysis; Photonic properties; Electronic properties; Density-functional theory;
Comparative study of electronic and optical properties of graphene and germanene: DFT study
Keywords: خواص الکترونیکی; Graphene germanene; Superlattices; Electronic properties; Band gap engineering;
Stability and electronic properties of sulfur terminated two-dimensional early transition metal carbides and nitrides (MXene)
Keywords: خواص الکترونیکی; Two-dimensional material; Transition metal carbides; First principles; Electronic properties;
Synthesis, analysis and electrical properties of silicon doped BN nanowires
Keywords: خواص الکترونیکی; Boron nitride; Nanowire; Morphology; Electronic properties;
Structural, electronic, magnetic and optical properties of semiconductor Zn1âxMoxTe compound
Keywords: خواص الکترونیکی; Zn1âxMoxTe; Structural properties; Electronic properties; Magnetic properties; Optical properties;
The electronic, magnetic and optical properties of Co doped marcasite FeS2
Keywords: خواص الکترونیکی; Marcasite FeS2; Electronic properties; Magnetic properties; Optical properties; Half-metal;
Calculation of electronic and optical properties of surface InxGa1âxP and indium-gradient structure on GaP (0â¯0â¯1)
Keywords: خواص الکترونیکی; Surface InxGa1âxP; Electronic properties; Optical properties; Indium-gradient;