Theoretical Study of Single-walled BC₂N Nanotubes for Chemical Sensing of Cyanate Ion

References

• Tor-Agbidye , J. , Palmer , V.S. , Spencer , P.S. , Craig , AM. , Blythe , L.I. and Sabri , M.I. 1999 . Sodium cyanate alters glutathione homeostasis in rodent brain: Relationship to neurodegenerative diseases in protein-deficient malnourished populations in Africa . Brain Res. , 820 : 12 – 19 .
   PubMed Web of Science ®Google Scholar
• Shaw , C.M. , Papayannopoulou , T. and Stamatoyannopoulos , G. 1974 . Neuropathology of cyanate toxicity in rhesus monkeys . Pharmacology , 12 : 166 – 176 .
   PubMed Web of Science ®Google Scholar
• Peterson , C.M. , Tsairis , P. , Ohnishi , A. , Lu , Y.S. , Grady , R. , Cerami , A. and Dyck , P.J. 1974 . Sodium cyanate-induced polyneuropathy in patients with sickle-cell disease . Ann. Int. Med. , 81 : 152 – 158 .
   PubMed Web of Science ®Google Scholar
• Srivastava , S.K. and Beutler , E. 1968 . Accurate measurement of oxidized glutathione content of human, rabbit and rat red blood cells and tissues . Anal. Biochem. , 25 : 70 – 76 .
   PubMed Web of Science ®Google Scholar
• Stark , G.R. 1965 . Reactions of cyanate with functional groups of proteins. Reactions with amino and carboxyl groups . Biochemistry , 4 : 1030 – 1037 .
   PubMed Web of Science ®Google Scholar
• Stark , G.R. 1964 . On the reversible reaction of cyanate with sulfhydryl groups and the determination of NH2-terminal cysteine and cystine in proteins . J. Biol. Chem. , 239 : 1411 – 1414 .
   PubMed Web of Science ®Google Scholar
• Stark , G.R. 1965 . Reactions of cyanate with functional groups of proteins. Inertness of aliphatic hydroxyl groups. Formation of carbamyl- and acylhydantoins . Biochemistry , 4 : 2363 – 2367 .
   PubMed Web of Science ®Google Scholar
• Yang , H. and Whitten , J.L. 1998 . Chemisorption of OCN on Ni(100) – an ab initio study . Surface Science , 401 : 312 – 321 .
   Web of Science ®Google Scholar
• Jakob , P. 1996 . Identification of a surface reaction product by detection of a vibrational combination band . Chem. Phys. Lett. , 263 : 607
   Web of Science ®Google Scholar
• Baei , M.T. 2012 . Adsorption properties and quantum molecular descriptors of OCN− adsorbed on (6,0), (7,0), and (8,0) zigzag single-walled boron nitride nanotubes: A computational study . Monatsh Chem. , 143 : 989 – 995 .
   Web of Science ®Google Scholar
• Ijima , S. 1991 . Helical microtubules of graphitic carbon . Nature , 354 : 56 – 58 .
   Web of Science ®Google Scholar
• Prato , M. , Kostarelos , K. and Bianco , A. 2008 . Functionalized carbon nanotubes in drug design and discovery . Acc. Chem. Res. , 41 : 60 – 68 .
   PubMed Web of Science ®Google Scholar
• Kam , N.W.S. and Dai , H. 2006 . Single walled carbon nanotubes for transport and delivery of biological cargos . Physica Status Solidi B: Basic Solid State Phys. , 243 : 3561 – 3566 .
   Web of Science ®Google Scholar
• Klumpp , C. , Kostarelos , K. , Prato , M. and Bianco , A. 2006 . Functionalized carbon nanotubes as emerging nanovectors for the delivery of therapeutics . Biochim. Biophys. Acta , 1758 : 404 – 412 .
   PubMed Web of Science ®Google Scholar
• Thess , A. , Lee , R. , Nikolaev , P. , Dai , H.J. , Petit , P. , Robert , J. Xu , C.H. 1996 . Crystalline ropes of metallic carbon nanotubes . Science , 273 : 483 – 489 .
   PubMed Web of Science ®Google Scholar
• Hirsch , A. 2002 . Functionalization of single-walled carbon nanotubes . Angew. Chem. Int. Ed. Engl. , 41 : 1853 – 1859 .
   PubMed Web of Science ®Google Scholar
• Dyke , C.A. and Tour , J.M. 2004 . Overcoming the insolubility of carbon nanotubes through high degrees of sidewall functionalization . Chem. Eur. J. , 10 : 812 – 817 .
   PubMed Web of Science ®Google Scholar
• Wang , W.L. , Bai , X.D. , Liu , K.H. , Xu , Z. , Golberg , D. , Bando , Y. and Wang , E.G. 2006 . Direct synthesis of B-C-N single-walled nanotubes by bias-assisted hot filament chemical vapor deposition . J. Am. Chem. Soc. , 128 : 6530 – 6531 .
   PubMed Web of Science ®Google Scholar
• Liao , L. , Liu , K.H. , Wang , W.L. , Bai , X.D. , Wang , E.G. , Liu , Y.L. , Li , J.C. and Liu , C. 2007 . Multi-walled boron carbonitride/carbon nanotube junction and its rectification behavior . J. Am. Chem. Soc. , 129 : 9562 – 9563 .
   PubMed Web of Science ®Google Scholar
• Enouz , S. , Stéphan , O. , Cochon , J.L. , Colliex , C. and Loiseau , A. 2007 . C-BN patterned single-walled nanotubes synthesized by laser vaporization . Nano Lett. , 7 : 1856 – 1862 .
   PubMed Web of Science ®Google Scholar
• Rossato , J. and Baierle , R.J. 2007 . Stability and electronic properties of vacancies and antisites in BC2N nanotubes . Phys. Rev. B , 75 : 235401 – 235407 .
   Web of Science ®Google Scholar
• Pan , H. , Feng , Y.P. and Lin , J.Y. 2006 . First-principles study of optical spectra of single-walled BC2N nanotubes . Phys. Rev. B , 73 : 035420 – 035425 .
   Web of Science ®Google Scholar
• Hernndez , E. , Goze , C. , Bernier , P. and Rubio , A. 1998 . Elastic properties of C and BxCyNz composite nanotubes . Phys. Rev. Lett. , 80 : 4502 – 4505 .
   Web of Science ®Google Scholar
• Zhou , Z. , Zhao , J. , Gao , X. , Chen , Z. , Yan , J. , Schleyer , P.R. and Morinaga , M. 2005 . Do composite single-walled nanotubes have enhanced capability for lithium storage? . Chem. Mater. , 17 : 992 – 1000 .
   Web of Science ®Google Scholar
• Peng , S. and Cho , K. 2003 . Ab initio study of doped carbon nanotube sensors . Nano Lett. , 3 : 513 – 517 .
   Web of Science ®Google Scholar
• Tournus , F. and Charlier , J.C. 2005 . Ab initio study of benzene adsorption on carbon nanotubes . Phys. Rev. B , 71 : 165421 – 165428 .
   Web of Science ®Google Scholar
• Chattaraj , P.K. , Sarkar , U. and Roy , D.R. 2006 . Electrophilicity index . Chem. Rev. , 106 : 2065 – 2091 .
   PubMed Web of Science ®Google Scholar
• Hazarika , K.K. , Baruah , N.C. and Deka , R.C. 2009 . Molecular structure and reactivity of antituberculosis drug molecules isoniazid, pyrazinamide, and 2-methylheptylisonicotinate: a density functional approach . Struct. Chem. , 20 : 1079 – 1085 .
   Web of Science ®Google Scholar
• Parr , R.G. , Szentpaly , L. and Liu , S. 1999 . Electrophilicity index . J. Am. Chem. Soc. , 121 : 1922 – 1924 .
   Web of Science ®Google Scholar
• Schmidt , M. 1993 . J. . Comput. Chem. , 14 : 1347 – 1363 . Baldridge, K., Boatz, J., Elbert, S., Gordon, M., Jensen, J., Koseki, S. et al.
   Google Scholar
• Li , S.S. 2006 . Semiconductor Physical Electronics , 2nd ed. , Springer: . New York.
   Google Scholar