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Rhodium clustering process on defective (8,0) SWCNT: Analysis of chemical and physical properties using density functional theory

Ruben E. Ambrusi,C. Romina Luna,Mario G. Sandoval,Pablo Bechthold,M. Estela Pronsato,Alfredo Juan

Applied Surface Science（2017）

Cited 17|Views17
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Abstract
•Rh3 and Rh4 clusters prefer to be adsorbed on oxygenated vacancy.•Rh adsorption induces a magnetic moment.•Rh atom and Rh2 dimer bonded to the defective SWCNT, show a semiconductor behavior.•Rh3 and Rh4 show a metallic behavior.
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Key words
CNT,DFT,Vacancy,Adsorption
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