PMID- 19420527
OWN - NLM
STAT- MEDLINE
DCOM- 20090623
LR  - 20091119
IS  - 1361-6528 (Electronic)
IS  - 0957-4484 (Linking)
VI  - 20
IP  - 14
DP  - 2009 Apr 8
TI  - Silicon-doped carbon nanotubes: a potential resource for the detection of 
      chlorophenols/chlorophenoxy radicals.
PG  - 145501
LID - 10.1088/0957-4484/20/14/145501 [doi]
AB  - Chlorinated phenols and chlorophenoxy radicals are known as predominant 
      precursors for forming polychlorinated dibenzo-p-dioxins and dibenzofurans 
      (PCDD/PCDF), which are highly carcinogenic and persistent organic pollutants 
      (POPs). Density functional theory (DFT) calculations have been carried out to 
      explore the potential possibility of carbon nanotubes (CNTs) serving as the 
      resource for detecting and/or adsorbing these PCDD/PCDF precursors. Based on the 
      calculated results on a pristine (8, 0) CNT and a Si-doped (8, 0) CNT with and 
      without the presence of a 2-chlorophenol (2-CP)/2-chlorophenoxy radical (2-CPR), 
      the typical representative of chlorophenols/chlorophenoxy radicals, we propose 
      that pristine carbon nanotubes (CNTs) may be unsuitable for the desired 
      applications due to their poor capability for catching chlorinated 
      phenols/chlorophenoxy radicals, on the other hand, Si-doped CNTs are expected to 
      be a potential resource for detecting and/or adsorbing (concentrating) these 
      PCDD/PCDF precursors. The present results provide a guide to the relevant 
      experimentalists, who are exploring novel applications of CNT-based materials in 
      nanoscience and nanotechnology, and/or searching for suitable resources for 
      detecting chlorophenols/chlorophenoxy radicals.
FAU - Jiang, Haihui
AU  - Jiang H
AD  - Institute of Theoretical Chemistry, Key Laboratory of Colloid and Interface 
      Chemistry, Ministry of Education, Shandong University, Jinan, 250100, People's 
      Republic of China.
FAU - Zhang, Dongju
AU  - Zhang D
FAU - Wang, Ruoxi
AU  - Wang R
LA  - eng
PT  - Journal Article
PT  - Research Support, Non-U.S. Gov't
DEP - 20090318
PL  - England
TA  - Nanotechnology
JT  - Nanotechnology
JID - 101241272
RN  - 0 (Chlorophenols)
RN  - 0 (Nanotubes, Carbon)
SB  - IM
MH  - Chemistry Techniques, Analytical/*methods
MH  - Chlorophenols/*analysis
MH  - *Nanotubes, Carbon
EDAT- 2009/05/08 09:00
MHDA- 2009/06/24 09:00
CRDT- 2009/05/08 09:00
PHST- 2009/05/08 09:00 [entrez]
PHST- 2009/05/08 09:00 [pubmed]
PHST- 2009/06/24 09:00 [medline]
AID - S0957-4484(09)95461-7 [pii]
AID - 10.1088/0957-4484/20/14/145501 [doi]
PST - ppublish
SO  - Nanotechnology. 2009 Apr 8;20(14):145501. doi: 10.1088/0957-4484/20/14/145501. 
      Epub 2009 Mar 18.