Keywords: انرژی جذب; Surface adsorption; Adsorption energy; Hydrogen storage; Surface coverage; DFT; van der Waals interaction;
مقالات ISI انرژی جذب (ترجمه نشده)
مقالات زیر هنوز به فارسی ترجمه نشده اند.
در صورتی که به ترجمه آماده هر یک از مقالات زیر نیاز داشته باشید، می توانید سفارش دهید تا مترجمان با تجربه این مجموعه در اسرع وقت آن را برای شما ترجمه نمایند.
در صورتی که به ترجمه آماده هر یک از مقالات زیر نیاز داشته باشید، می توانید سفارش دهید تا مترجمان با تجربه این مجموعه در اسرع وقت آن را برای شما ترجمه نمایند.
Keywords: انرژی جذب; Adsorption energy; Graphene oxide; Ionic liquid; Phenolic acid; Solid-phase extraction;
Keywords: انرژی جذب; Adsorption energy; Composite transition metal carbides; First-principles calculation; Iron;
Keywords: انرژی جذب; Oxygen evolution reaction; Cobalt iron oxides; Nanowire arrays; Substrates; Adsorption energy;
Keywords: انرژی جذب; First principles; Graphene; Coverage; Bond; Adsorption energy; The Mulliken charge;
Keywords: انرژی جذب; Corrosion inhibition; Adsorption; Adsorption energy; Binding energy; Molecular dynamic simulations; Monte Carlo simulations;
Keywords: انرژی جذب; Boron nitride; Coronene; Adsorption energy; First principles calculation; Van der Waals interaction;
Keywords: انرژی جذب; Palladium monolayer; Adsorption energy; Minimum energy path; Electronic band structure; Electron localization function (ELF);
Keywords: انرژی جذب; Defective silicene; Adsorption energy; AIMD simulation; Diffusion barrier;
Keywords: انرژی جذب; WS2 film; Mach-Zehnder interferometer; Gas sensing; Hydrogen sulfide; Adsorption energy;
Keywords: انرژی جذب; adsorption energy; inhibition effect; modeling; single and binary adsorption; statistical physics models;
Keywords: انرژی جذب; Adsorption energy; Gas molecules; DFT; Pristine and doped SWCNTs; (8,0) SWCNT; Gas sensors;
Keywords: انرژی جذب; Boron nitride nanosheets; Oxygen-doping; Chemical activation; Water purification; Adsorption energy;
Keywords: انرژی جذب; First-principles study; Non-aqueous sodium-oxygen batteries; Atomic carbon structures; Adsorption energy; Solution mechanism;
Keywords: انرژی جذب; Mixed concentration; Galena; Jamesonite; Flotation; Molecular dynamic simulation; Adsorption energy
Keywords: انرژی جذب; Hydroxyapatite; Tobramycin; Co-precipitation; Strontium; Antibiotic release; Adsorption energy;
Keywords: انرژی جذب; Density functional theory; Adsorption energy; Lithium doped functionalized carbon nanotubes; Band structure; Density of states;
Keywords: انرژی جذب; DFT calculation; Oxygen vacancy; Electron transfer; Adsorption energy
Keywords: انرژی جذب; H2 adsorption; Ce:C2H4 complex; Equilibrium isotope effect; Adsorption energy; Desorption temperature
Adsorption of lithium polysulfides on an anatase (1â¯0â¯1) and an α-Al2O3 (0â¯0â¯0â¯1) surface under external electric field with first principles calculations
Keywords: انرژی جذب; LiS batteries; Electric field; Adsorption energy; Anatase; α-Al2O3; First-principle calculations;
Effect of substrate relaxation on adsorption energies: The example of α-Fe2O3(0001) and Fe3O4(111)
Keywords: انرژی جذب; Adsorption energy; Desorption energy; Au; CO; Hematite; Magnetite;
Adsorption of HPOx and CaHPOx (x=1,â¦,4) molecules on anatase TiO2 (001) surfaces
Keywords: انرژی جذب; Biomaterials; Titanium dioxide; Adsorption energy; Phosphate adsorption; Osseointegration;
Gas sensing properties of two-dimensional penta-BP5: A first-principle study
Keywords: انرژی جذب; penta-BP5; First principles calculation; Gas sensing; Adsorption energy; Charge transfer;
A study of the hydrogen adsorption mechanism of W18O49 using first-principles calculations
Keywords: انرژی جذب; First principles calculation; W18O49; H2; Adsorption energy;
DFT study of cyanide oxidation on surface of Ge-embedded carbon nanotube
Keywords: انرژی جذب; Catalyst; Nanostructure; Metal embedding; Oxidation reaction; Adsorption energy;
Hydrogen storage property of alkali and alkaline-earth metal atoms decorated C24 fullerene: A DFT study
Keywords: انرژی جذب; Hydrogen storage; Adsorption energy; Density functional theory; C24 fullerene;
Energetics of adsorbed benzene on Ni(111) and Pt(111) by calorimetry
Keywords: انرژی جذب; Adsorption energy; Benzene; Ni(111); Pt(111); Calorimetry; Catalyst;
Computational and experimental study of the second metal effect on the structure and properties of bi-metallic MeMoS-sites in transition metal sulfide catalysts
Keywords: انرژی جذب; DFT; MeMoS; Adsorption energy; Synthesis gas;
The sesame ball-like CoS/MoS2 nanospheres as efficient counter electrode catalysts for dye-sensitized solar cells
Keywords: انرژی جذب; Sesame ball; Nanosphere; Catalytic site; First-principles calculation; Adsorption energy;
Computational study on the functionalization of BNNC with pyrrole molecule
Keywords: انرژی جذب; Borone nitride nanocones; Pyrrole; Adsorption energy; Density functional theory; NICS; Functionalization;
Adsorption of hydrogen and hydrogen-containing gases on Pd- and Ag-single atoms doped on anatase TiO2 (1â¯0â¯1) surfaces and their sensing performance
Keywords: انرژی جذب; Pd-doped and Ag-doped; Adsorption energy; Anatase TiO2 (1â¯0â¯1); Periodic DFT; Hydrogen-containing gases; Sensing materials;
Oxidation of toxic gases via GeB36N36 and GeC72 nanocages as potential catalysts
Keywords: انرژی جذب; Catalyst; Nanostructure; N2 molecule; Oxidation reaction; Adsorption energy;
Oxidation of NO on surface of Sn-doped carbon nanocone: DFT study
Keywords: انرژی جذب; Catalyst; Nanostructure; Metal adoption; Oxidation reaction; Adsorption energy;
Adsorption of phenol and hydrazine upon pristine and X-decorated (Xâ¯=â¯Sc, Ti, Cr and Mn) MoS2 monolayer
Keywords: انرژی جذب; MoS2; Metal-decorated; Adsorption energy; DFT; C6H5OH; N2H4;
Charge-modulated CO2 capture of C3N nanosheet: Insights from DFT calculations
Keywords: انرژی جذب; Density functional theory; CO2 capture; Charge-controlled; Polarization; Adsorption energy;
Electron transport in NH3/NO2 sensed buckled antimonene
Keywords: انرژی جذب; Antimonene; Sensor; DFT; Adsorption energy; Bandstructure; Transmission spectra;
Emission and evaporation properties of 75Â at.% Re-25Â at.% W mixed matrix impregnated cathode
Keywords: انرژی جذب; Dispenser cathode; Evaporation rate; Re3W phase; Adsorption energy; Charge transfer;
The adsorptions of fixed groups âCN, âNH2, âSH, âOH and âCOOH of dye molecules on stoichiometric, oxygen vacancy and Pt-doped SnO2 (110) surfaces
Keywords: انرژی جذب; Fixed groups; SnO2 (110) surface; Dissociative adsorption; First principle calculations; Adsorption energy;
Theoretical research on the effect of Eosin Y adsorption action on Ru4 and Pt4 clusters on the hydrogen evolution performance
Keywords: انرژی جذب; Eosin Y; Ru4; Pt4; DFT; Adsorption energy; Hydrogen evolution performance;
Fabrication, characterization and theoretical investigation of novel Fe3O4@egg-shell membrane as a green nanosorbent for simultaneous preconcentration of Cu (II) and Tl (I) prior to ETAAS determination
Keywords: انرژی جذب; Magnetite eggshell membrane; Electrothermal atomic absorption spectrometry; Copper; Thallium; Adsorption energy;
Graphene- and CNTs-based carbocatalysts in persulfates activation: Material design and catalytic mechanisms
Keywords: انرژی جذب; Carbon nanotubes; Graphene; Peroxydisulfate; Peroxymonosulfate; Reaction pathways; AO7; acid orange 7; Eads; adsorption energy; AOPs; advanced oxidation processes; NH2-G; aminated graphene/NH2 functionalized graphene; BA; benzoic acid; BG; boron-doped gra
Barrier effect of oxide on Cu permeation on Be surface
Keywords: انرژی جذب; Beryllium; Diffusion barrier; Adsorption energy; Charge transfer;
Transition metal atom Fe, Co, Ni decorated B38 fullerene: Potential material for hydrogen storage
Keywords: انرژی جذب; Hydrogen storage; Transition metal; Boron fullerene; Adsorption energy;
Theoretical evidence of the relationship established between the HO radicals and H2O adsorptions and the electroactivity of typical catalysts used to oxidize organic compounds
Keywords: انرژی جذب; Anode materials; Organic electrooxidation; Hydroxyl radicals; Adsorption energy; Density Functional Theory;
Short communicationFluorine-rich carbon nanoscrolls for CO2/CO (C2H2) adsorptive separation
Keywords: انرژی جذب; Grand canonical Monte Carlo calculations; Carbon nanoscrolls; CO2 capture; Fluorine doping; Adsorption energy;
Adsorption of hydrogen molecule on noble metal doped on oxygen-vacancy defect of anatase TiO2(101) surface: Periodic DFT study
Keywords: انرژی جذب; Binding energy; Adsorption energy; Oxygen vacancy anatase TiO2(101) surface; Noble metal-doped defective TiO2; Periodic DFT;
CMC prediction for ionic surfactants in pure water and aqueous salt solutions based solely on tabulated molecular parameters
Keywords: انرژی جذب; Critical micelle concentration (CMC); “Adsorption capacity”; Adsorption energy; Equilibrium adsorption constant; Ion-specific effects;
First-principles investigation of adsorption and dissociation of molecular oxygen on pure Pd, Ni-doped Pd and NiPd alloy clusters
Keywords: انرژی جذب; Auxiliary density functional theory; Adsorption energy; Activation energy; Transition metal clusters;
Insights into the metal-support interaction between NiCu cluster and MgO as well as its effect on H adsorption and H2 dissociation
Keywords: انرژی جذب; DFT; Metal-support interaction; Hirshfeld charge; Adsorption energy; H2dissociation;
A DFT study of Cu nanoparticles adsorbed on defective graphene
Keywords: انرژی جذب; DFT; Adsorption energy; Charge transfer; Graphene; Cu nanoparticle;