메뉴 건너뛰기




Volumn 112, Issue 48, 2008, Pages 15442-15449

Interaction between glycine/glycine radicals and intrinsic/boron-doped (8,0) single-walled carbon nanotubes: A density functional theory study

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC PHYSICS; BORON; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; ENCAPSULATION; MOLECULES; NANOCOMPOSITES; NANOTUBES; SINGLE-WALLED CARBON NANOTUBES (SWCN);

EID: 57949096055     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp804965x     Document Type: Article
Times cited : (42)

References (33)
  • 1
    • 0342819025 scopus 로고
    • Helical microtubules of graphitic carbon
    • Iijima, S. Helical microtubules of graphitic carbon. Nature 1991, 354, 56-58.
    • (1991) Nature , vol.354 , pp. 56-58
    • Iijima, S.1
  • 2
    • 9744279393 scopus 로고
    • A Carbon Nanotube Field-Emission Electron Source
    • de Heer, W. A.; Chatelain, A.; Ugarte, D. A Carbon Nanotube Field-Emission Electron Source. Science 1995, 270, 1179-1180.
    • (1995) Science , vol.270 , pp. 1179-1180
    • de Heer, W.A.1    Chatelain, A.2    Ugarte, D.3
  • 3
    • 0037191823 scopus 로고    scopus 로고
    • High brightness electron beam from a multi-walled carbon nanotube
    • Jonge, N. d.; Lamy, Y.; Schoots, K.; Oosterkamp, T. H. High brightness electron beam from a multi-walled carbon nanotube. Nature 2002, 420, 393-395.
    • (2002) Nature , vol.420 , pp. 393-395
    • Jonge, N.D.1    Lamy, Y.2    Schoots, K.3    Oosterkamp, T.H.4
  • 5
    • 33645799229 scopus 로고    scopus 로고
    • Glycine Interaction with Carbon Nanotubes: An ab Initio Study
    • Mavrandonakis, A.; Farantos, S. C.; Froudakis, G. E. Glycine Interaction with Carbon Nanotubes: An ab Initio Study. J. Phys. Chem. B 2006, 110, 6048-6050.
    • (2006) J. Phys. Chem. B , vol.110 , pp. 6048-6050
    • Mavrandonakis, A.1    Farantos, S.C.2    Froudakis, G.E.3
  • 6
    • 34347360672 scopus 로고    scopus 로고
    • Noncovalent Interactions between Cytosine and SWCNT: Curvature Dependence of Complexes via π⋯π Stacking and Cooperative CH⋯π/NH⋯π
    • Wang, Y.; Bu, Y. Noncovalent Interactions between Cytosine and SWCNT: Curvature Dependence of Complexes via π⋯π Stacking and Cooperative CH⋯π/NH⋯π. J. Phys. Chem. B 2007, 111, 6520-6526.
    • (2007) J. Phys. Chem. B , vol.111 , pp. 6520-6526
    • Wang, Y.1    Bu, Y.2
  • 8
    • 14544277499 scopus 로고    scopus 로고
    • Biomedical applications of functionalised carbon nanotubes
    • Bianco, A.; Kostarelos, K.; Partidos, C. D.; Prato, M. Biomedical applications of functionalised carbon nanotubes. Chem. Commun. 2005, 5, 571-577.
    • (2005) Chem. Commun , vol.5 , pp. 571-577
    • Bianco, A.1    Kostarelos, K.2    Partidos, C.D.3    Prato, M.4
  • 9
    • 27744504244 scopus 로고    scopus 로고
    • Applications of carbon nanotubes in drug delivery
    • Bianco, A.; Kostarelos, K.; Prato, M. Applications of carbon nanotubes in drug delivery. Curr. Opin. Chem. Biol. 2005, 9, 674-679.
    • (2005) Curr. Opin. Chem. Biol , vol.9 , pp. 674-679
    • Bianco, A.1    Kostarelos, K.2    Prato, M.3
  • 10
    • 1442348967 scopus 로고    scopus 로고
    • Glucose Biosensors Based on Carbon Nanotube Nanoelectrode Ensembles
    • Lin, Y.; Lu, F.; Tu, Y.; Ren, Z. Glucose Biosensors Based on Carbon Nanotube Nanoelectrode Ensembles. Nano Lett. 2004, 4, 191-195.
    • (2004) Nano Lett , vol.4 , pp. 191-195
    • Lin, Y.1    Lu, F.2    Tu, Y.3    Ren, Z.4
  • 11
    • 19944401860 scopus 로고    scopus 로고
    • Carbon Nanotube-Metal Cluster Composites: A New Road to Chemical Sensors
    • Zhao, Q.; Buongiorno Nardelli, M.; Lu, W.; Bernholc, J. Carbon Nanotube-Metal Cluster Composites: A New Road to Chemical Sensors. Nano Lett. 2005, 5, 847-851.
    • (2005) Nano Lett , vol.5 , pp. 847-851
    • Zhao, Q.1    Buongiorno Nardelli, M.2    Lu, W.3    Bernholc, J.4
  • 12
    • 85152982551 scopus 로고    scopus 로고
    • Wang, J. Carbon-Nanotube Based Electrochemical Biosensors: A Review. Electroanalysis 2005, 17, 7-14.
    • Wang, J. Carbon-Nanotube Based Electrochemical Biosensors: A Review. Electroanalysis 2005, 17, 7-14.
  • 14
    • 0033549489 scopus 로고    scopus 로고
    • Helical Crystallization of Proteins on Carbon Nanotubes: A First Step towards the Development of New Biosensors
    • Balavoine, F.; Schultz, P.; Richard, C.; Mallouh, V.; Ebbesen, T. W.; Mioskowski, C. Helical Crystallization of Proteins on Carbon Nanotubes: A First Step towards the Development of New Biosensors. Angew. Chem., Int. Ed. 1999, 38, 1912.
    • (1999) Angew. Chem., Int. Ed , vol.38 , pp. 1912
    • Balavoine, F.1    Schultz, P.2    Richard, C.3    Mallouh, V.4    Ebbesen, T.W.5    Mioskowski, C.6
  • 15
    • 0242523819 scopus 로고    scopus 로고
    • Can Carbon Nanotubes be Considered Useful Tools for Biological Applications
    • Bianco, A.; Prato, M. Can Carbon Nanotubes be Considered Useful Tools for Biological Applications. Adv. Mater. 2003, 15, 1765-1768.
    • (2003) Adv. Mater , vol.15 , pp. 1765-1768
    • Bianco, A.1    Prato, M.2
  • 16
    • 0037613332 scopus 로고    scopus 로고
    • Synthesis, Structural Characterization, and Immunological Properties of Carbon Nanotubes Functionalized with Peptides
    • Pantarotto, D.; Partidos, C. D.; Graff, R.; Hoebeke, J.; Briand, J-P.; Pratto, M.; Bianco, A. Synthesis, Structural Characterization, and Immunological Properties of Carbon Nanotubes Functionalized with Peptides. J. Am. Chem. Soc. 2003, 125, 6160-6164.
    • (2003) J. Am. Chem. Soc , vol.125 , pp. 6160-6164
    • Pantarotto, D.1    Partidos, C.D.2    Graff, R.3    Hoebeke, J.4    Briand, J.-P.5    Pratto, M.6    Bianco, A.7
  • 17
    • 0141521685 scopus 로고    scopus 로고
    • Ab Initio Study of Doped Carbon Nanotube Sensors
    • Peng, S.; Cho, K. Ab Initio Study of Doped Carbon Nanotube Sensors. Nano Lett. 2003, 3, 513-517.
    • (2003) Nano Lett , vol.3 , pp. 513-517
    • Peng, S.1    Cho, K.2
  • 18
    • 33749590597 scopus 로고    scopus 로고
    • Boron-Doped Carbon Nanotubes Serving as a Novel Chemical Sensor for Formaldehyde
    • Wang, R.; Zhang, D.; Zhang, Y.; Liu, C. Boron-Doped Carbon Nanotubes Serving as a Novel Chemical Sensor for Formaldehyde. J. Phys. Chem. B 2006, 110, 18267-18271.
    • (2006) J. Phys. Chem. B , vol.110 , pp. 18267-18271
    • Wang, R.1    Zhang, D.2    Zhang, Y.3    Liu, C.4
  • 19
    • 33645513186 scopus 로고    scopus 로고
    • Novel Chemical Sensor for Cyanides: Boron-Doped Carbon Nanotubes
    • Zhang, Y. M.; Zhang, D. J.; Liu, C. B. Novel Chemical Sensor for Cyanides: Boron-Doped Carbon Nanotubes. J. Phys. Chem. B 2006, 110, 4671-4674.
    • (2006) J. Phys. Chem. B , vol.110 , pp. 4671-4674
    • Zhang, Y.M.1    Zhang, D.J.2    Liu, C.B.3
  • 20
    • 33645898818 scopus 로고
    • Accurate and simple analytic representation of the electron-gas correlation energy
    • Perdew, J. P.; Wang, Y. Accurate and simple analytic representation of the electron-gas correlation energy. Phys. Rev. B 1992, 45, 13244-13249.
    • (1992) Phys. Rev. B , vol.45 , pp. 13244-13249
    • Perdew, J.P.1    Wang, Y.2
  • 21
    • 13044283435 scopus 로고    scopus 로고
    • Nanoplasticity of Single-Wall Carbon Nanotubes under Uniaxial Compression
    • Srivastva, D.; Menon, M.; Cho, K. Nanoplasticity of Single-Wall Carbon Nanotubes under Uniaxial Compression. Phys. Rev. Lett. 1999, 83, 2973-2976.
    • (1999) Phys. Rev. Lett , vol.83 , pp. 2973-2976
    • Srivastva, D.1    Menon, M.2    Cho, K.3
  • 22
    • 84906404758 scopus 로고    scopus 로고
    • Frisch, M. J, Trucks, G. W, Schlegel, H. B, Scuseria, G. E, Robb, M. A, Cheeseman, J. R, Montgomery, J. A, Jr, Vreven, T, Kudin, K. N, Burant, J. C, Millam, J. M, Iyengar, S. S, Tomasi, J, Barone, V, Mennucci, B, Cossi, M, Scalmani, G, Rega, N, Petersson, G. A, Nakatsuji, H, Hada, M, Ehara, M, Toyota, K, Fukuda, R, Hasegawa, J, Ishida, M, Nakajima, T, Honda, Y, Kitao, O, Nakai, H, Klene, M, Li, X, Knox, J. E, Hratchian, H. P, Cross, J. B, Bakken, V, Adamo, C, Jaramillo, J, Gomperts, R, Stratmann, R. E, Yazyev, O, Austin, A. J, Cammi, R, Pomelli, C, Ochterski, J. W, Ayala, P. Y, Morokuma, K, Voth, G. A, Salvador, P, Dannenberg, J. J, Zakrzewski, V. G, Dapprich, S, Daniels, A. D, Strain, M. C, Farkas, O, Malick, D. K, Rabuck, A. D, Raghavachari, K, Foresman, J. B, Ortiz, J. V, Cui, Q, Baboul, A. G, Clifford, S, Cioslowski, J, Stefanov, B. B, Liu, G, Liashenko, A, Piskorz, P, Komaromi, I, Martin, R. L, Fox, D. J, Keit
    • Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, revision D.01; Gaussian, Inc.: Wallingford, CT, 2004.
  • 25
    • 33748502312 scopus 로고    scopus 로고
    • Chemical Functionalization of Boron-Nitride Nanotubes with NH3 and Amino Functional Groups
    • Wu, X.; An, W.; Zeng, X. C. Chemical Functionalization of Boron-Nitride Nanotubes with NH3 and Amino Functional Groups. J. Am. Chem. Soc. 2006, 128, 12001-12006.
    • (2006) J. Am. Chem. Soc , vol.128 , pp. 12001-12006
    • Wu, X.1    An, W.2    Zeng, X.C.3
  • 26
    • 0042534101 scopus 로고
    • Density functional approach to the frontier-electron theory of chemical reactivity
    • Parr, R. G.; Yang, W. T. Density functional approach to the frontier-electron theory of chemical reactivity. J. Am. Chem. Soc. 1984, 106, 4049-4050.
    • (1984) J. Am. Chem. Soc , vol.106 , pp. 4049-4050
    • Parr, R.G.1    Yang, W.T.2
  • 27
    • 0038589706 scopus 로고
    • Conformers of gaseous glycine
    • Attila, G. Csaszar. Conformers of gaseous glycine. J. Am. Chem. Soc. 1992, 114, 9568-9575.
    • (1992) J. Am. Chem. Soc , vol.114 , pp. 9568-9575
    • Attila, G.C.1
  • 28
    • 34447260582 scopus 로고
    • An all-electron numerical method for solving the local density functional for polyatomic molecules
    • (a) Delley, B. An all-electron numerical method for solving the local density functional for polyatomic molecules. J. Chem. Phys. 1990, 92, 508-517.
    • (1990) J. Chem. Phys , vol.92 , pp. 508-517
    • Delley, B.1
  • 29
    • 0034319689 scopus 로고    scopus 로고
    • 3 approach
    • 3 approach. J. Chem. Phys. 2000, 113, 7756-7764.
    • (2000) J. Chem. Phys , vol.113 , pp. 7756-7764
    • Delley, B.1
  • 30
    • 0028863703 scopus 로고
    • Radicals and Ions of Glycine: An ab Initio Study of the Structures and Gas-Phase Thermochemistry
    • Yu, D.; Rauk, A.; Armstrong, D. A. Radicals and Ions of Glycine: An ab Initio Study of the Structures and Gas-Phase Thermochemistry. J. Am. Chem. Soc. 1995, 117, 1789-1796.
    • (1995) J. Am. Chem. Soc , vol.117 , pp. 1789-1796
    • Yu, D.1    Rauk, A.2    Armstrong, D.A.3
  • 31
    • 84906374034 scopus 로고
    • Reactions of Charged Phenyl Radicals with Aliphatic Amino Acids in the Gas Phase
    • Huang, Y.; Guler, L.; Heidbrink, J.; Kenttaemaa, H. Reactions of Charged Phenyl Radicals with Aliphatic Amino Acids in the Gas Phase. J. Am. Chem. Soc. 1995, 117, 1789-1796.
    • (1995) J. Am. Chem. Soc , vol.117 , pp. 1789-1796
    • Huang, Y.1    Guler, L.2    Heidbrink, J.3    Kenttaemaa, H.4
  • 32
    • 0035526031 scopus 로고    scopus 로고
    • Associations of Alkyl Carbonates: Intermolecular C-H⋯O Interactions
    • Wang, Y. X.; Balbuena, P. B. Associations of Alkyl Carbonates: Intermolecular C-H⋯O Interactions. J. Phys. Chem. A 2001, 105, 9972-9982.
    • (2001) J. Phys. Chem. A , vol.105 , pp. 9972-9982
    • Wang, Y.X.1    Balbuena, P.B.2
  • 33
    • 50649107451 scopus 로고    scopus 로고
    • Chemisorption of Molecular Hydrogen on Carbon Nanotubes: A Route to Effective Hydrogen Storage?
    • Bilić, A.; Gale, J. D. Chemisorption of Molecular Hydrogen on Carbon Nanotubes: A Route to Effective Hydrogen Storage? J. Phys. Chem. C 2008, 112, 12568-12575.
    • (2008) J. Phys. Chem. C , vol.112 , pp. 12568-12575
    • Bilić, A.1    Gale, J.D.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.