Keywords: خواص الکترونیکی و نوری; Carbon nitride derivatives; DFT calculation; Electronic and optical properties;
مقالات ISI خواص الکترونیکی و نوری (ترجمه نشده)
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Keywords: خواص الکترونیکی و نوری; First-principle calculation; b-PC; Molecular doping; Electronic and optical properties;
Keywords: خواص الکترونیکی و نوری; 73.21.Fg; 78.67.De; 78.67.-n; Asymmetric double parabolic and inverse parabolic quantum wells; Electronic and optical properties; Linear optical absorption; Linear optical rectification; Refractive index change; Resonant peak; Barrier width;
Keywords: خواص الکترونیکی و نوری; Nanotube; Titania; Titanium oxide; Doping; Electronic and optical properties; Density functional theory;
Keywords: خواص الکترونیکی و نوری; Star-shaped molecules; 1,3,5-Triazine derivatives; Electronic and optical properties; Charge transport property; Organic electronics
Discrete impurity band from surface danging bonds in nitrogen and phosphorus doped SiC nanowires
Keywords: خواص الکترونیکی و نوری; Silicon carbon nanowires; Nitrogen and phosphorus doped; Surface danging bonds; Hydrogen passivation; Electronic and optical properties;
Inhibition of quantum size effects from surface dangling bonds: The first principles study on different morphology SiC nanowires
Keywords: خواص الکترونیکی و نوری; Silicon carbon nanowires; Surface dangling bonds; Quantum size effects; Electronic and optical properties; First-principles theory;
Theoretical study of structural, electronic and optical properties of InxGa1-xN alloys
Keywords: خواص الکترونیکی و نوری; Structural; Electronic and optical properties; Vegard's law; mBJ-GGA; Optoelectronics;
Tunable electronic and optical properties of GaS/GaSe van der Waals heterostructure
Keywords: خواص الکترونیکی و نوری; Electronic and optical properties; GaS/GaSe heterostructure; Stacking effect; 2D materials;
Chemical bath deposited (CBD) CuO thin films on n-silicon substrate for electronic and optical applications: Impact of growth time
Keywords: خواص الکترونیکی و نوری; CuO thin film; Time dependent growth; Thickness optimization; p-CuO/n-Si heterojunctions; Electronic and optical properties;
The mechanism of enhanced photocatalytic activity of SnO2 through fullerene modification
Keywords: خواص الکترونیکی و نوری; First-principles calculations; Electronic and optical properties; Photocatalytic performance; Fullerene/SnO2 (101); Electronic structure; Density functional theory;
Optoelectronic behavioral study of defect-chalcopyrite semiconductors XGa2Te4 (XÂ =Â Zn, Cd)
Keywords: خواص الکترونیکی و نوری; 71.15.Mb; 84.60.H-; 78.20.-e; Density functional theory; Solar cells; Electronic and optical properties; Defect chalcopyrite's;
First principles study on the structural, magnetic, electronic and optical properties of un-doped and La-doped BiFe0.75Mn0.125Ti0.125O3
Keywords: خواص الکترونیکی و نوری; BiFeO3; First principles; Magnetic moment; Electronic and optical properties;
Electronic and optical properties of titanium-doped GaN nanowires
Keywords: خواص الکترونیکی و نوری; Ti-doped GaN NWs; Work function; Electronic and optical properties;
Dependence of electronic and optical properties of multilayer SiC and GeC on stacking sequence and external electric field
Keywords: خواص الکترونیکی و نوری; Multilayer SiC and GeC; Stacking sequence; External electric field; Electronic and optical properties
Controlling electronic and optical properties of layered SiC and GeC sheets by strain engineering
Keywords: خواص الکترونیکی و نوری; Layered SiC and GeC; In-plane and out-of-plane strain; Electronic and optical properties; First-principles;
First-principles calculations of electronic and optical properties of F, C-codoped cubic HfO2
Keywords: خواص الکترونیکی و نوری; DFT; Electronic and optical properties; Codoping; Cubic HfO2
Electronic and optical properties of CdS films deposited by evaporation
Keywords: خواص الکترونیکی و نوری; CdS film; Thermal evaporation; Growth temperature and atmosphere; Electronic and optical properties
A first principle study of encapsulated and functionalized silicon nanotube of chirality (6,6) with monoatomically thin metal wires of Ag, Au and Cu
Keywords: خواص الکترونیکی و نوری; Silicon nanotubes; Encapsulation; Functionalization; Electronic and optical properties;
Electronic structure, optical properties and Compton profiles of RuO2: Performance of PBEsol exchange–correlation approximation
Keywords: خواص الکترونیکی و نوری; Compton scattering; Density functional theory; Electronic and optical properties
First-principles calculations of electronic and optical properties of Mn-doped cubic HfO2
Keywords: خواص الکترونیکی و نوری; DFT; Electronic and optical properties; Mn doping; Cubic HfO2;
A hybrid functional study of the electronic and optical properties of tetragonal PbO-type phase of ZnO under pressure
Keywords: خواص الکترونیکی و نوری; B10 phase ZnO; First principles; Hybrid functional theory; Pressure; Electronic and optical properties
First-principles calculations of electronic and optical properties of C-doped and F, C-codoped cubic ZrO2
Keywords: خواص الکترونیکی و نوری; DFT; Electronic and optical properties; Codoping; Cubic ZrO2;
Formation of an intermediate band in the energy gap of TiO2 by Cu–N-codoping: First principles study and experimental evidence
Keywords: خواص الکترونیکی و نوری; Photocatalytic and photovoltaic material; Co-doped anatase TiO2; Density functional theory; Electronic and optical properties
Quasiparticle and exciton renormalization effects in electrostatically doped semiconducting carbon nanotubes
Keywords: خواص الکترونیکی و نوری; Carbon nanotubes; Electronic and optical properties; Electrostatic doping; Many-electron correlation effects; Quasiparticles; Excitons; Acoustic plasmons; ab initio; Effective mass approximation;
Ab initio calculations for electronic and optical properties of explosive silver azide
Keywords: خواص الکترونیکی و نوری; Ab initio calculations; Density functional theory; Electronic and optical properties
Exploration on anion ordering, optical properties and electronic structure in K3WO3F3 elpasolite
Keywords: خواص الکترونیکی و نوری; Oxyfluorotungstate; Structure; Nonlinear optical crystals; Electronic and optical properties; First-principles calculations
First-principles investigation of Fe-doped MgSiO3-ilmenite
Keywords: خواص الکترونیکی و نوری; Ilmenite-type MgSiO3; Fe-doping; Microstructure; Electronic and optical properties; Quantum-chemical computations;
The effect of diphenylamine on the electronic, optical, and charge transport properties of BTD-based derivative: Insights from theory
Keywords: خواص الکترونیکی و نوری; Diphenylamine; 2,1,3-Benzothiadiazole; Electronic and optical properties; Reorganization energy
Band parameters of α-LiBeN semiconductor from density functional calculations
Keywords: خواص الکترونیکی و نوری; Ab initio calculations; Quasi-harmonic Debye model; Structural parameters; Electronic and optical properties; Elastic constants; α-LiBeN;
Theoretical investigation on the white-light emission from a single-polymer system with simultaneous blue and orange emission (Part II)
Keywords: خواص الکترونیکی و نوری; WPLEDs; Electronic and optical properties; Reorganization energy; Stability
First-principles calculations of structural, electronic and optical properties of CdxZn1−xS alloys
Keywords: خواص الکترونیکی و نوری; Mixed binary semiconductors; First-principles calculations; Electronic and optical properties
Electronic and optical properties of alkali metal selenides in anti-CaF2 crystal structure from first-principles
Keywords: خواص الکترونیکی و نوری; Alkali metal selenides; First-principles calculations; FP-LAPW; Electronic and optical properties; Generalized gradient approximation
Density functional study on electronic and optical properties of C (or N)-doped cubic cerium dioxide
Keywords: خواص الکترونیکی و نوری; DFT; Electronic and optical properties; Doping of C (or N); CeO2;
Calculations of electronic and optical properties of diamond quantum films
Keywords: خواص الکترونیکی و نوری; 78.20.Bh; 78.66.Db; Diamond; Tight-binding calculations; Quantum films; Electronic and optical properties; Nanostructures; Semiconductors;
Theoretical investigation on the white-light emission from a single-polymer system with simultaneous blue and orange emission
Keywords: خواص الکترونیکی و نوری; WPLEDs; Electronic and optical properties; Reorganization energy;
Atomic geometry and electronic structure of defects in Zn3N2
Keywords: خواص الکترونیکی و نوری; Zn3N2; Electronic and optical properties; Native defect