Keywords: دستگاه مولکولی; Molecular device; Electronic transport; Graphene rectifier;
مقالات ISI دستگاه مولکولی (ترجمه نشده)
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Keywords: دستگاه مولکولی; Molecular device; Electronic transport; Switching behavior;
Keywords: دستگاه مولکولی; Antimonene; Nanosheet; Molecular device; Adsorption; Explosive device;
Keywords: دستگاه مولکولی; Stanene; Nanotube; Trimethyl amine; n-Butyl amine; Molecular device;
Keywords: دستگاه مولکولی; Molecular device; Lateral linking group; Electronic transport; Switching behavior;
Keywords: دستگاه مولکولی; Ab initio MO calculation; Molecular device; Imine-based rotary motor; Nanomachine; Photoisomerization; Ï conjugated molecule;
Keywords: دستگاه مولکولی; Molecular device; Electronic transport; Switching behavior;
Keywords: دستگاه مولکولی; Magnetic transport; Spin filtering effect; Molecular device;
Influence of anchoring groups on single-molecular junction conductance: Theoretical comparative study of thiol and amine
Keywords: دستگاه مولکولی; Density-functional theory; Non-equilibrium Green's function; Molecular device; Anchoring group; Negative differential resistance;
Keywords: دستگاه مولکولی; Molecular electronics; Molecular device; Self-assembled monolayer; STM; Charge transport;
Large rectifying ratio in a nitrogen-doped armchair graphene device modulated by the gate voltage
Keywords: دستگاه مولکولی; Electronic transport; Rectifying behaviors; Molecular device; Density-function theory; Non-equilibrium Green's function method;
Keywords: دستگاه مولکولی; Water splitting; Molecular device; Photoanode; Electrolyte; DS-PEC;
Keywords: دستگاه مولکولی; Molecular device; Density-function theory; Spin-filtering; Rectifying behaviors
Keywords: دستگاه مولکولی; Polyphenylene; Molecular device; N-doping graphene electrode; Negative differential resistance; Transport properties
Keywords: دستگاه مولکولی; Spin transport; Molecular device; Graphene nanoribbon;
Keywords: دستگاه مولکولی; Azobenzene; Isomers; Molecular device; Switching; Transmission spectrum;
Keywords: دستگاه مولکولی; Molecular device; Negative differential resistance; Conductance switching; Density-functional theory; Nonequilibrium Green's functions;
Keywords: دستگاه مولکولی; Molecular device; Density-functional theory; Electronic transport; Switching
Keywords: دستگاه مولکولی; Gallium arsenide; Molecular device; Nanoribbon; Transport property; Transmission pathways
Keywords: دستگاه مولکولی; photoanode; molecular device; photoelectrochemical cell; water splitting
Keywords: دستگاه مولکولی; Molecular device; Density functional theory; Non-equilibrium Greenʼs function; Current rectification; Boron and nitrogen co-doping
Keywords: دستگاه مولکولی; Coulomb blockade; Quantum dot; Molecular device;
Keywords: دستگاه مولکولی; Molecular device; Density functional theory; Non-equilibrium Green's function; Rectification behavior; Boron and nitrogen co-doping
Keywords: دستگاه مولکولی; Molecular device; Density functional theory; Non-equilibrium Greenʼs function; Negative differential resistance; Current rectification;
Spin resolved electronic transport through N@C20 fullerene molecule between Au electrodes: A first principles study
Keywords: دستگاه مولکولی; Endohedral fullerene; Molecular device; First principles; Spin dependent transport;
Thermal spin-filtering, magnetoresistance effects and thermal spin logic gate in Mn-oligoporphyrin-based molecular device
Keywords: دستگاه مولکولی; Thermal spin-filtering; Thermal magnetoresistance; Spin logic gate; Molecular device;
DFT investigation on the adsorption behavior of dimethyl and trimethyl amine molecules on borophene nanotube
Keywords: دستگاه مولکولی; Borophene; Molecular device; Nanotube; Adsorption; Charge transfer;
Effect of the substitution of F on the photoswitching behavior in single molecular device
Keywords: دستگاه مولکولی; Molecular device; Electronic transport; Photoswitching;
Tuning the IV characteristic of a cruciform diamine molecular device by connected position and B/N doping
Keywords: دستگاه مولکولی; Molecular device; Transport properties; B/N doping; Negative differential resistance;
Switching properties of quinquephenylene molecular device - A first-principles approach
Keywords: دستگاه مولکولی; Quinquephenylene; Molecular device; Electronic properties; Negative differential resistance; Density of states; Switching;
Adsorption of NO2 molecules on armchair phosphorene nanosheet for nano sensor applications - A first-principles study
Keywords: دستگاه مولکولی; Phosphorene; NO2; Nanosheet; Molecular device; Density of states;
CO and NO monitoring using pristine germanene nanosheets: DFT study
Keywords: دستگاه مولکولی; Germanene; CO; NO; Molecular device; Density of states; Transmission;
Rectifications in organic single-molecule diodes alkanethiolate-terminated heterocyclics
Keywords: دستگاه مولکولی; Rectifier; Molecular device; Nanoscale electronics; Charge transport; First-principles calculation; Non-equilibrium Green's function
Effects of stretching and compression on conducting properties of an Au-alkanedithiol-Au molecular junction
Keywords: دستگاه مولکولی; Density-functional theory; Molecular device; Electronic transport;
Electronic transport properties and CO adsorption characteristics on TiO2 molecular device – A first-principles study
Keywords: دستگاه مولکولی; TiO2; CO; Nanostructure; Molecular device; Adsorption
Investigation on transport property of In2O3 molecular device — A first-principles study
Keywords: دستگاه مولکولی; Indium oxide; Molecular device; Density of states; Electron density; Band structure
Theoretical and experimental study of model oligothiophenes containing 1-methylene-2-(perfluorophenyl)hydrazine terminal unit
Keywords: دستگاه مولکولی; Organic semiconductor; Molecular device; 1-(thiophen-5-yl)methylene)-2-(perfluorophenyl)hydrazine; 1-((5-methylthiophen-2-yl)methylene)-2-(perfluorophenyl)hydrazine; 1-(2,2′-bithiophen-5-yl)methylene)-2-(perfluorophenyl)hydrazine
First-principles insights on electron transport in V2O5 nanostructures
Keywords: دستگاه مولکولی; Vanadium oxide; Nanostructures; Molecular device; Transmission; Pathways;
Mixed SAMs of backbone-functionalized tribenzotriquinacenes and alkanethiols: Synthesis, preparation and STM-investigations
Keywords: دستگاه مولکولی; Molecular device; Tribenzotriquinacene; Self-assembled monolayer; Scanning tunnel microscopy;
Exploring electronic transport properties of AlN nanoribbon molecular device – A first-principles investigation
Keywords: دستگاه مولکولی; Aluminium nitride; Nanoribbon; Molecular device; Transport property; Electron density
Band structure and transport studies on InP nanotube – A first-principles investigation
Keywords: دستگاه مولکولی; Indium phosphide; Nanotube; Molecular device; Density of states; Electron density
Structural, electronic, and transport properties of Ih-symmetry-breaking C60 isomers
Keywords: دستگاه مولکولی; Molecular device; Electronic transport; Density functional theory; I–V characteristics
Electroactive [2]catenanes
Keywords: دستگاه مولکولی; Bipyridinium; Charge transfer; Molecular machine; Molecular device; Supramolecular chemistry; Voltammetry
The effect of asymmetrical electrode on the transport properties of molecular devices
Keywords: دستگاه مولکولی; Transport properties; Molecular device; Rectifying behavior; Asymmetry electrode
Anchor position and donor/acceptor effects on transport properties in fused benzene-substituted oligothiophene molecular device
Keywords: دستگاه مولکولی; Transport property; Oligothiophene; Molecular device; Non-equilibrium Green's function; Density-functional theory
Altering regularities on resistances of doped Au–alkanedithiol–Au junctions
Keywords: دستگاه مولکولی; Molecular device; Density functional theory; Non-equilibrium Green’s function; Negative differential resistance
Theoretical investigation on current-voltage characteristics in all-carbon molecular device with different contact geometries
Keywords: دستگاه مولکولی; Nonequilibrium Green's functions; Density-functional theory; Molecular device; Graphene; Negative differential resistance behavior;
Reversible switching in an N-salicylideneaniline molecular device induced by hydrogen transfer
Keywords: دستگاه مولکولی; Molecular device; Electronic transport; Switching behavior;
First-principles study of the electronic transport properties in (GaAs)n (n=2-4) nanocluster-based molecular junctions
Keywords: دستگاه مولکولی; GaAs nanocluster; Molecular device; Negative differential resistance;
Hole capture dynamics of phenyl-capped thiophene: Direct ab-initio molecular dynamics study
Keywords: دستگاه مولکولی; Phenyl-capped thiophene; Diphenyl thiophene; Direct AIMD; Molecular device