DFT studies of OH-functionalized open-ended zigzag, armchair, and chiral single wall carbon nanotubes

Physica Status Solidi (A) Applications and Materials Science

Volumn 208, Issue 8, 2011, Pages 1774-1777

  Chelmecka E ^a   Pasterny, K ^b   Kupka, T ^c   Stobinski L ^d,e  

^a MEDICAL UNIVERSITY OF SILESIA   (Poland)

^b UNIVERSITY OF SILESIA   (Poland)

^c UNIVERSITY OF OPOLE   (Poland)

^d INSTITUTE OF PHYSICAL CHEMISTRY   (Poland)

^e WARSAW UNIVERSITY OF TECHNOLOGY   (Poland)

Author keywords

DFT; end functionalized SWCNT; hydroxylation; SWCNT

Indexed keywords

DFT; DFT STUDY; EXTERIOR WALLS; FUNCTIONALIZATIONS; FUNCTIONALIZED; HYDROGEN ATOMS; MOLECULAR GROUPS; NON-ADDITIVE; SINGLE-WALL CARBON NANOTUBES; SWCNT;

DANGLING BONDS; HYDROGEN BONDS; MECHANICAL PROPERTIES;

SINGLE-WALLED CARBON NANOTUBES (SWCN);

EID: 80051673465     PISSN: 18626300     EISSN: 18626319     Source Type: Journal    
DOI: 10.1002/pssa.201001113     Document Type: Article

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