Keywords: 82.45.Gj; 68.43.-h; 68.35.Md; Double layer theory; Continuum thermo-electrodynamics; Solvation effects; Metal-electrolyte interface; Differential capacitance; Model validation;
مقالات ISI (ترجمه نشده)
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Keywords: 68.37.âd; 68.35.Md; Molecular layer; Adsorption behavior; Metal ion reduction; Heat resistance; Nano thermal analysis;
Calculation of the surface energy of hcp metals by using the modified embedded atom method
Keywords: 68.35.Md; 68.47.De; 68.55.Jk; hcp metals; Surface energy; MEAM; Calculation;
Hydrophobic and ice-retarding properties of doped silicone rubber coatings
Keywords: 68.35.Md; 68.08.Bc; 82.45.Mp; Silicone rubber; Nanoparticles; Hydrophobicity; Freezing; Ice repellency;
Anti-icing performance of superhydrophobic surfaces
Keywords: 68.35.Md; 68.08.Bc; 82.45.Mp; Ice adhesion; Ice repellency; Superhydrophobicity; Ice adhesion strength; Roughness; Water condensation; Durability;
Ab initio calculation of diffusion barriers for Cu adatom hopping on Cu(1Â 0Â 0) surface and evolution of atomic configurations
Keywords: 68.35.Md; 68.55.Aâ; 07.05.Tp; 81.16.Dn; Self-diffusion dynamics; Diffusion barrier; Adatom hopping; Atomic configuration evolution; Ab initio calculation;
The surface core level shift for lithium at the surface of lithium borate
Keywords: 33.60.Cv; 68.35.Md; 79.60.−i; 05.70.Np; 68.47.ChOxide dielectric layers; Lithium tetraborate; Surface-to-bulk core level shift
Characterisation of wettability in gas diffusion layer in proton exchange membrane fuel cells
Keywords: 82.47.Gh; 68.08.Bc; 68.35.Md; Wetting; Contact angle; Surface energy; PEM fuel cell; Gas diffusion layer;
The melting behaviors of the Nb(1 1 0) nanofilm: a molecular dynamics study
Keywords: 64.70.dj; 68.35.Md; 61.46.âw; 31.15.xv; Melting mechanisms; Dynamical behaviors; Melting point; The Nb(1Â 1Â 0) nanofilm; Atomic simulation;
Assigning chemical configurations to the XPS features observed at pristine (1Â 0Â 0) Si surface resulting after etching in HF aqueous solution
Keywords: 68.35.Md; 68.45.Da; 82.30.Hk; 82.65.My; (1Â 0Â 0) Si surface; HF-etching of silicon; Inverse problem in XPS; XPS and infrared analysis of silicon surfaces;
Ab initio-based approach to structural change of compound semiconductor surfaces during MBE growth
Keywords: 31.15.AR; 68.35.MD; 68.47.Fg; 81.05.Ea; A1. Phase diagrams; A1. Surface structure; A3. Molecular beam epitaxy; B1. Gallium compounds; B1. Nitrides; B1. Semiconducting III-V materials;
An ab initio-based approach to the stability of GaN(0 0 0 1) surfaces under Ga-rich conditions
Keywords: 31.15.AR; 68.35.MD; 68.47.Fg; 81.05.EaA1. Phase diagrams; A1. Surface structure; A3. Molecular beam epitaxy; B1. Nitrides; B2. Semiconducting gallium compounds
Theoretical approach to structural stability of GaN: How to grow cubic GaN
Keywords: 71.15.Nc; 68.35.Md; 68.43.Bc; 68.47.FgA1. Adsorption; Computer simulation; A3. Molecular beam epitaxy; B1. Gallium nitride
Thermal step bunching on the restricted solid-on-solid model with point contact inter-step attractions
Keywords: 68.35.Md; 05.70.Np; 05.50.+q; 68.35.âp; Surface free energy; DMRG calculations; Equilibrium crystal shape; ECS; The first-order transition; Self-organization;
Ice adhesion on super-hydrophobic surfaces
Keywords: 68.35.Md; 68.08.Bc; 82.45.Mp; Hydrophobicity; Ice adhesion; Shear stress; Contact angle hysteresis;
Ab initio calculations of the CaTiO3 (111) polar surfaces
Keywords: 31.15.Ar; 68.35.Bs; 68.35.Md; 73.20.AtD. Surface energy; D. Surface grand potential; D. Surface electronic structure; E. Ab initio
Ruthenium adsorption and diffusion on the GaN(0 0 0 1) surface
Keywords: 68.35.Bs; 68.35.Md; 68.43.Bc; 68.43.Fg; 71.15.Mb; 73.20.At; Surface; Adsorption;Diffusion; DFT; GGA; Pseudopotential;
Molecular dynamics study on surface structure and surface energy of rutile TiO2 (1 1 0)
Keywords: Molecular dynamics; TiO2; Surface energy; Surface structure; Pit; 31.15.xv; 68.35.Md; 68.35.bd; 61.72.Ff;
Roughness and structural motifs on the Si(1 0 3) surface
Keywords: 68.35.−p; 68.35.Bs; 68.35.Md; 68.47.Fg; 68.60.−pGenetic algorithm; Molecular dynamics; Semi-empirical models and model calculations; Surface relaxation and reconstruction; Silicon; Germanium
Stability and electronic structure of BiFeO3 (111) polar surfaces by first-principle calculations
Keywords: 68.35.Bs; 68.47.Gh; 68.35.Md; 73.20.AtMultiferroic materials; Surface; DFT; Electronic structure
Dissolution–precipitation recrystallization of miscut crystal surfaces under stress
Keywords: 68.35.Md; 68.35.Ja; 81.10.JtA1. Optical microscopy; A1. Morphological stability; A1. Recrystallization; A1. Roughening; A1. Stresses; A1. Surface structure
Investigation of the hydrophobic recovery of various polymeric biomaterials after 172Â nm UV treatment using contact angle, surface free energy and XPS measurements
Keywords: 81.40.Cd; 61.80.Ba; 79.60.âi; 68.35.Md; 172Â nm excimer lamp; Polymeric biomaterials; Hydrophobic recovery; Surface free energy; XPS;
Half-metallicity characteristic at zincblende CrSb(0Â 0Â 1) surfaces and its interfaces with GaSb(0Â 0Â 1) and InAs(0Â 0Â 1)
Keywords: 72.25.Mk; 68.35.Md; 75.70.âi; 73.20.âr; 31.15.Eâ; Spintronic; Half-metallicity; Surface; Interface; Density-functional theory;
Ab initio study of Mn adsorption on w-BN(0 0 0 1) surface
Keywords: 68.35.Bs; 68.35.Md; 68.43.Bc; 68.43.Fg; 71.15.Mb; 73.20.AtAb initio; Adsorption; Surface relaxation; DFT; GGA; Pseudopotential
In vitro biological performance of nano-particles on the surface of hydroxyapatite coatings
Keywords: 68.35.Md; 81.65.âb; 68.35.Rh; Nano-hydroxyapatite; Simulated body fluid; Osteoblast;
Study on wettabilities and platelet adhesion behavior of C:H and C:N:H films prepared by DC-MFCVA
Keywords: 73.50.Mx; 81.15.âz; 68.35.Md; 68.35.Np; DLC films; Surface energy; Interfacial tension; Platelet adhesion;
Possible differences between the surface and bulk structure of glasses
Keywords: 68.35.bj; 68.35.Md; 61.05.cj; 79.20.Uv; 82.80.PvSTEM/TEM; Silicates; Short-range order; Surfaces and interfaces; Thermodynamics; X-ray absorption
The adsorption-induced thermal step-bunching on the hexagonal lattice system
Keywords: 68.35.Md; 05.70.Np; 05.50.+q; 68.35. âp; Step-bunching; Self-organization; Adsorption; Hexagonal system; Restricted solid-on-solid model;
An ab initio-based approach to phase diagram calculations for GaN(0Â 0Â 0Â 1) surfaces
Keywords: 31.15.AR; 68.35.MD; 68.47.Fg; 81.05.Ea; Ab initio quantum chemical methods and calculations; Surface thermodynamics; GaN(0Â 0Â 0Â 1);
MFM and gas adsorption isotherm analysis of proton beam irradiated multi-walled carbon nanotubes
Keywords: 61.30.Hn; 61.82.âd; 68.35.Md; 68.37.Rt; 68.43.Mn; Nanostructures; Magnetic force microscopy; Adsorption/desorption kinetics; Proton beam; Surface thermodynamics;
An ab initio-based approach to phase diagram calculations for GaAs(0 0 1)-(2 Ã 4)γ surfaces
Keywords: 31.15.AR; 68.35.MD; 68.47.Fg; 81.05.Ea; Ab initio quantum chemical methods and calculations; Surface thermodynamics; GaAs(0 0 1)-(2 Ã 4)γ;
Small SiGe quantum dots obtained by excimer laser annealing
Keywords: 68.65.Hb; 68.35.Fx; 68.35.Md; 68.37.PsA1. Diffusion; A1. Atomic force microscopy; B1. Germanium silicon alloys
Structural and electronic properties of cubic HfO2 surfaces
Keywords: 68.35.Md; 68.47.Gh; 73.20.At; 81.10.Aj; High κ; HfO2; Surfaces; First-principles;
Metallic phase formation in oxide films
Keywords: 61.82.Ms; 61.43.Fs; 68.35.Md; 82.80.PvDiffusion and transport; Radiation effects; Atomic force and scanning tunneling microscopy; Oxide glasses; Radiation; Thermal properties; XPS
Full resolution of the Monte Carlo time scale demonstrated through the modelling of two-amorphous-particles sintering
Keywords: 07.05.Tp; 85.55.kh; 68.35.Md; 81.20.Ev; 83.80.AbMonte Carlo techniques; Kinetics; Surface energy; Interface; Sintering; Viscous flow
An effective mobility approach to solute drag in computer simulations of migrating grain boundaries
Keywords: 68.35.Md; 68.35.bd; 81.05.Bx; 81.10.JtDiffusion; Grain growth; Modelling; Segregation; Simulations
Theoretical surface morphology of {0 1 1¯ 2} acute rhombohedron of calcite: A comparison with experiments and {1 0 1¯ 4} cleavage rhombohedron
Keywords: 65.40.gp; 68.35.Md; 68.37.Hk; 81.10.Aj; 81.10.Dn; 82.70.GgA1. Crystal morphology; A1. Surface structure; A2. Growth from solution; B1. Calcium compounds
Chemical, energetic, and geometric heterogeneity of device-quality (1Â 0Â 0) surfaces of single crystalline silicon after HFaq etching
Keywords: 68.35.Md; 68.45.Da; 82.30.Hk; 82.65.My; (1Â 0Â 0)Silicon; Hydrogen termination; Substoichiometric oxide; Angle-resolved X-ray photoelectron spectroscopy; Multiple-internal-reflection infrared spectroscopy; Atomic force microscopy;
Influence of plasma treatment of ITO surface on the growth and properties of hole transport layer and the device performance of OLEDs
Keywords: 81.65.-b; 68.37.Ps; 68.35.Md; 64.60.qj; 85.60.JbPlasma; Indium tin oxide; Morphology; OLEDs; Surface treatment; Surface energy
Surface energy and hybridization studies of amorphous carbon surfaces
Keywords: 79.60.HT; 68.35.Md; 82.80.Pv; Amorphous carbon; XPS; Surface energy; Contact angle;
Ab initio-based approach on initial growth kinetics of GaN on GaN (0Â 0Â 1)
Keywords: 71.15.Nc; 68.35.Md; 68.43.Bc; 68.47.Fg; A1. Adsorption; A1. Computer simulation; A3. Molecular beam epitaxy; B1. Gallium nitride;
Diffusion and adsorption behavior of Si adatom on defect-induced H-terminated Si(0 0 1) surfaces
Keywords: 61.72.Tt; 66.30.Ny; 68.35.Md; 71.15.PdH-terminated silicon surface; SDV; Adsorption; Diffusion; Empirical tight-binding method
Isothermal adsorption kinetics on heterogeneous surfaces
Keywords: 68.43.Mn; 68.43.Jk; 68.35.Md; 61.43.Gt; 82.20.Pm; Adsorption; Microkinetic analysis; Surface heterogeneity; Surface diffusion; Microcalorimetry;
Excess surface work-A modelless way of getting surface energies and specific surface areas directly from sorption isotherms
Keywords: 68.35.Md; 86.43.âh; Sorption; Excess surface work; Sorption energy; Sorption model;
Size-dependent multilayer relaxation of nanowires and additional effect of surface stresses
Keywords: 61.46.-w; 61.30.Hn; 68.35.Md; 68.03.CdA. Nanowires; A. Metals; D. Multilayer relaxation
Footprint organization of chiral molecules on metallic surfaces
Keywords: 68.35.Md; 68.43.Fg; 68.43.Hn; 68.43.âh; Adsorption; Chiral molecules; Extended chiral phases;
Anisotropy analysis of the surface stress and surface energy in Cu surfaces with the modified embedded atom method
Keywords: 82.45.Jn; 68.35.Md; 83.85.StA. Metals; A. Surfaces and interfaces; C. Crystal structure and symmetry
Theory of interface structure, energetics, and electronic properties of embedded Si/a-SiO2 nanocrystals
Keywords: 68.35.Ct; 68.35.Md; 71.15.Mb; Silicon nanocrystals; Silicon dioxide; Interface structure; Energetics; Electronic properties; Ab initio calculations;
Atomic relaxation and electronic redistribution of LaAlO3(001) surfaces
Keywords: 68.35.Md; 73.20.At; 73.30.+ySurface energy; Electronic structure; DFT
Morphological evolution of edge-hillocks on single-crystal films having anisotropic drift-diffusion under the capillary and electromigration forces
Keywords: 85.40.Ls; 66.30.Qa; 68.35.Md; 05.70.Np; 82.20.Wt; 07.05.TpComputer simulations; Models of non-equilibrium phenomena; Surface diffusion; Electromigration; Solid–gas interfaces