Reactive sites for chiral selective growth of single-walled carbon nanotubes: A DFT study of Ni55-Cn complexes

Journal of Physical Chemistry A

Volumn 116, Issue 47, 2012, Pages 11709-11717

  Wang, Qiang ^a,b,c   Wang, Hong ^a   Wei, Li ^a   Yang, Shuo Wang ^b   Chen, Yuan ^a  

^a Nanyang Technological University   (Singapore)

^b INSTITUTE OF HIGH PERFORMANCE COMPUTING   (Singapore)

^c NANJING TECH UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON ATOMS; CARBON SPECIES; CARBON STRUCTURES; CHIRAL SELECTIVITY; DENSITY FUNCTIONAL THEORY CALCULATIONS; DFT STUDY; FRONTIER ORBITALS; HIGH POTENTIAL; HIGH REACTIVITY; KINK SITES; METAL CLUSTER; REACTIVE SITE; SELECTION MECHANISM; SELECTIVE GROWTH; SPATIAL ORIENTATIONS; STAGE OF GROWTH;

CARBON; CHARGE TRANSFER; CHIRALITY; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ENANTIOMERS; SINGLE-WALLED CARBON NANOTUBES (SWCN);

NANOTUBES;

EID: 84870445884     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp308115f     Document Type: Article

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