Microscopic Study of Carbon Surfaces Interacting with High Carbon Ferromanganese Slag

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Amino acids interacting with defected carbon nanotubes: ab initio calculations

The adsorption of a number of amino acids on a defected single-walled carbon nanotube (SWCNT) isinvestigated by using the density-functional theory (DFT) calculations. The adsorption energies andequilibrium distances are calculated for various configurations such as amino acid attaching to defectsites heptagon, pentagon and hexagon in defective tube and also for several molecular orientationswi...

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amino acids interacting with defected carbon nanotubes: ab initio calculations

the adsorption of a number of amino acids on a defected single-walled carbon nanotube (swcnt) isinvestigated by using the density-functional theory (dft) calculations. the adsorption energies andequilibrium distances are calculated for various configurations such as amino acid attaching to defectsites heptagon, pentagon and hexagon in defective tube and also for several molecular orientationswi...

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ژورنال

عنوان ژورنال: Metallurgical and Materials Transactions B

سال: 2014

ISSN: 1073-5615,1543-1916

DOI: 10.1007/s11663-014-0187-8