Chemical functionalization of pyridine-like and porphyrin-like nitrogen-doped carbon (CNx) nanotubes with transition metal (TM) atoms: A theoretical study

Theoretical Chemistry Accounts

Volumn 127, Issue 5, 2010, Pages 727-733

  Shang, Yan ^a   Zhao, Jing xiang ^b   Wu, Hong ^c   Cai, Qing hai ^b   Wang, Xiao guang ^b   Wang, Xuan zhang ^b  

^a HARBIN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b HARBIN NORMAL UNIVERSITY   (China)

^c QUANZHOU NORMAL UNIVERSITY   (China)

Author keywords

Chemical functionalization; CNx nanotubes; Density functional theory; Transition metal

Indexed keywords

EID: 78149364872     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-010-0784-9     Document Type: Article

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