Keywords: Sicnus; Acetic acid; SiCNT; Dehydrogenation; Decarboxylation; DFT; Catalyst
مقالات ISI Sicnus (ترجمه نشده)
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Keywords: Sicnus; Density functional theory; SiCNT; Electronic structure; Optical properties
Keywords: Sicnus; Ethane; Ethene; Detecting; AlNNT; SiCNT; DFT calculations
Keywords: Sicnus; Hydrogen storage; GCMC simulation; Ab initio; SiNT; CNT; SiCNT;
Healing of a carbon-vacancy defect in silicon carbide nanotubes by CO molecules: A DFT study
Keywords: Sicnus; SiCNT; Healing; CO oxidation; DFT; Adsorption;
Molecular dynamic study of mechanical properties of single/double wall SiCNTs: Consideration temperature, diameter and interlayer distance
Keywords: Sicnus; SiCNT; Mechanical properties; Molecular dynamic simulations; Young's modulus;
A comprehensive theoretical investigation about the bio-functionalization capability of single walled CNT, BNNT and SiCNT using DNA/RNA nucleobases
Keywords: Sicnus; CNT; BNNT; SiCNT; DNA; RNA; DFT;
Adsorption and decomposition of formamide over zigzag (n,0) silicon-carbide nanotubes (n = 5-7): Investigation of curvature effects
Keywords: Sicnus; Formamide; SiCNT; Dehydrogenation; Curvature effect; DFT;
Hydrogen generation from methylamine using silicon carbide nanotubes as a dehydrogenation catalyst: A density functional theory study
Keywords: Sicnus; SiCNT; Methylamine; DFT; Decomposition; Catalysis;
Catalytic dehydrogenation of hydrazine on silicon-carbide nanotubes: A DFT study on the kinetic issue
Keywords: Sicnus; SiCNT; Decomposition; Hydrazine; Dehydrogenation reaction; DFT;
Theoretical study on the effect of dopant positions and dopant density on transport properties of a BN co-doped SiC nanotube
Keywords: Sicnus; Ab initio; DFT; NEGF; SiCNT
Theoretical investigation of pristine and functionalized AlN and SiC single walled nanotubes as an adsorption candidate for methane
Keywords: Sicnus; DFT calculations; AlNNT; SiCNT; Nickel; Functionalized nanotubes; Methane adsorption;
Theoretical study on transport properties of a BN co-doped SiC nanotube
Keywords: Sicnus; Ab initio; DFT; NEGF; SiCNT;
Adsorption of oxygen atom on the pristine and antisite defected SiC nanotubes
Keywords: Sicnus; Density-functional theory; SiCNT; Oxygen; Adsorption;
Adsorption of oxygen molecular on pristine and defected SiC nanotubes
Keywords: Sicnus; SiCNT; Oxygen molecular; Adsorption; Density-functional theory;